N-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenyl]-N-methylacetamide

C19H18N4O2 — CID 135960777

IUPACN-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1
InChIInChI=1S/C19H18N4O2/c1-12(24)23(2)14-9-7-13(8-10-14)16-11-21-19(20)22-18(16)15-5-3-4-6-17(15)25/h3-11,25H,1-2H3,(H2,20,21,22)
InChIKeyGAWJGWFFXCRFCC-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.08
Rot. Bonds3

About N-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenyl]-N-methylacetamide

N-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenyl]-N-methylacetamide (PubChem CID 135960777) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenyl]-N-methylacetamide
PubChem CID135960777
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1
InChIInChI=1S/C19H18N4O2/c1-12(24)23(2)14-9-7-13(8-10-14)16-11-21-19(20)22-18(16)15-5-3-4-6-17(15)25/h3-11,25H,1-2H3,(H2,20,21,22)
InChIKeyGAWJGWFFXCRFCC-UHFFFAOYSA-N
XLogP3.08
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenyl]-N-methylacetamide (CID 135960777) is N-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1.
What is the InChIKey of N-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenyl]-N-methylacetamide?
The InChIKey is GAWJGWFFXCRFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12(24)23(2)14-9-7-13(8-10-14)16-11-21-19(20)22-18(16)15-5-3-4-6-17(15)25/h3-11,25H,1-2H3,(H2,20,21,22).
What are the key properties of N-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenyl]-N-methylacetamide?
N-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenyl]-N-methylacetamide has a molecular weight of 334.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]phenyl]-N-methylacetamide is sourced from PubChem (CID 135960777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).