5-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine

C16H14N4 — CID 3706833

IUPAC5-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
SMILESc1ccc(-c2cnc(NCc3ccncc3)nc2)cc1
InChIInChI=1S/C16H14N4/c1-2-4-14(5-3-1)15-11-19-16(20-12-15)18-10-13-6-8-17-9-7-13/h1-9,11-12H,10H2,(H,18,19,20)
InChIKeyMOWCBUHGHYHLSY-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.15
Rot. Bonds4

About 5-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine

5-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine (PubChem CID 3706833) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 5-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
PubChem CID3706833
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name5-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
SMILESc1ccc(-c2cnc(NCc3ccncc3)nc2)cc1
InChIInChI=1S/C16H14N4/c1-2-4-14(5-3-1)15-11-19-16(20-12-15)18-10-13-6-8-17-9-7-13/h1-9,11-12H,10H2,(H,18,19,20)
InChIKeyMOWCBUHGHYHLSY-UHFFFAOYSA-N
XLogP3.15
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 97443116
2-[(5-phenylpyrimidin-2-yl)amino]ethanol
CID 5157683
N-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide
CID 53108687
5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 110683582
N-benzyl-5-phenylpyridin-2-amine
CID 24949412
2-[(5-phenylpyrimidin-2-yl)amino]acetic acid
CID 116975092
N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine
CID 167597738
3-bromo-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 10452345
3-N-benzyl-5-N-(pyridin-4-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947704
2,2-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine
CID 116974601
N',N'-dimethyl-N-(5-phenylpyrimidin-2-yl)ethane-1,2-diamine
CID 3613650
4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934103

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine (CID 3706833) is 5-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine is c1ccc(-c2cnc(NCc3ccncc3)nc2)cc1.
What is the InChIKey of 5-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The InChIKey is MOWCBUHGHYHLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-2-4-14(5-3-1)15-11-19-16(20-12-15)18-10-13-6-8-17-9-7-13/h1-9,11-12H,10H2,(H,18,19,20).
What are the key properties of 5-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
5-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine has a molecular weight of 262.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 3706833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).