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CAS 1332708-14-1 5-PyriMidinecarboxaMide, 4-[(2-Methylpropyl)aMino]-N-(phenylMethyl)-2-[4-[(tetrahydro-2H-pyran-3-yl)Methyl]-1-piperazinyl]- molecular structure lightbox
CAS RN: 1332708-14-1

5-PyriMidinecarboxaMide, 4-[(2-Methylpropyl)aMino]-N-(phenylMethyl)-2-[4-[(tetrahydro-2H-pyran-3-yl)Methyl]-1-piperazinyl]-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260216 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1332708-14-1
  • Purity/Analytical Methods: >99.0%
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1332708-14-1 / N-benzyl-4-(2-methylpropylamino)-2-[4-(oxan-3-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide

Standard CAS: 1332708-14-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1332708-14-1
Multi CAS
No
Molecular Formula
C26H38N6O2
Molecular Weight
466.600000
Exact Mass
466.305624
SMILES
CC(C)CNC1=NC(=NC=C1C(=O)NCC2=CC=CC=C2)N3CCN(CC3)CC4CCCOC4
InChI
InChI=1S/C26H38N6O2/c1-20(2)15-27-24-23(25(33)28-16-21-7-4-3-5-8-21)17-29-26(30-24)32-12-10-31(11-13-32)18-22-9-6-14-34-19-22/h3-5,7-8,17,20,22H,6,9-16,18-19H2,1-2H3,(H,28,33)(H,27,29,30)
InChIKey
PPANZCQXFYBGHN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.58
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
2
Molar refractivity
135.17
TPSA
82.62

LogP / Solubility

WLOGP
3.02
MLOGP
2.69
XLogP3
4
Consensus LogP
3.24
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.28
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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