2-phenyl-6-(pyridin-2-ylmethyl)pyrimidin-4-amine

C16H14N4 — CID 115915118

IUPAC2-phenyl-6-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESNc1cc(Cc2ccccn2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H14N4/c17-15-11-14(10-13-8-4-5-9-18-13)19-16(20-15)12-6-2-1-3-7-12/h1-9,11H,10H2,(H2,17,19,20)
InChIKeyNVLBUIKHNFHMPE-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.71
Rot. Bonds3

About 2-phenyl-6-(pyridin-2-ylmethyl)pyrimidin-4-amine

2-phenyl-6-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 115915118) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-phenyl-6-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-phenyl-6-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID115915118
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name2-phenyl-6-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESNc1cc(Cc2ccccn2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H14N4/c17-15-11-14(10-13-8-4-5-9-18-13)19-16(20-15)12-6-2-1-3-7-12/h1-9,11H,10H2,(H2,17,19,20)
InChIKeyNVLBUIKHNFHMPE-UHFFFAOYSA-N
XLogP2.71
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-phenyl-6-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 115915118) is 2-phenyl-6-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-phenyl-6-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-phenyl-6-(pyridin-2-ylmethyl)pyrimidin-4-amine is Nc1cc(Cc2ccccn2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-6-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is NVLBUIKHNFHMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c17-15-11-14(10-13-8-4-5-9-18-13)19-16(20-15)12-6-2-1-3-7-12/h1-9,11H,10H2,(H2,17,19,20).
What are the key properties of 2-phenyl-6-(pyridin-2-ylmethyl)pyrimidin-4-amine?
2-phenyl-6-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 262.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 115915118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).