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CAS 1260614-73-0 N-Methyl-N-((3S,4S)-4-Methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyriMidin-4-aMine molecular structure lightbox
CAS RN: 1260614-73-0

N-Methyl-N-((3S,4S)-4-Methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyriMidin-4-aMine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251105 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1260614-73-0
  • Purity/Analytical Methods: >99.0%
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1260614-73-0 / N-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Standard CAS: 1260614-73-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260614-73-0
Multi CAS
No
Molecular Formula
C13H19N5
Molecular Weight
245.320000
Exact Mass
245.164046
SMILES
C[C@H]1CCNC[C@H]1N(C)C2=NC=NC3=C2C=CN3
InChI
InChI=1S/C13H19N5/c1-9-3-5-14-7-11(9)18(2)13-10-4-6-15-12(10)16-8-17-13/h4,6,8-9,11,14H,3,5,7H2,1-2H3,(H,15,16,17)/t9-,11+/m0/s1
InChIKey
XRIARWQZLGCQDM-GXSJLCMTSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
72.73
TPSA
56.84

LogP / Solubility

WLOGP
1.39
MLOGP
1.23
XLogP3
1.7
Consensus LogP
1.44
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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