[email protected]
CAS 49873-11-2 5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine molecular structure lightbox
CAS RN: 49873-11-2

5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260117 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS49873-11-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

49873-11-2 / 5-[(4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine

Standard CAS: 49873-11-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
49873-11-2
Multi CAS
Yes
Molecular Formula
C18H18N4O
Molecular Weight
306.400000
Exact Mass
306.148061
InChI
InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)10-13-6-8-16(9-7-13)23-12-14-4-2-1-3-5-14/h1-9,11H,10,12H2,(H4,19,20,21,22)
InChIKey
NTVMHTFWSNGDLC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.11
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
90.88
TPSA
87.05

LogP / Solubility

WLOGP
2.81
MLOGP
2.49
XLogP3
3
Consensus LogP
2.77
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-2.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us