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

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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).