N-benzyl-2-pyridin-3-ylpyrimidin-4-amine

C16H14N4 — CID 3233704

IUPACN-benzyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESc1ccc(CNc2ccnc(-c3cccnc3)n2)cc1
InChIInChI=1S/C16H14N4/c1-2-5-13(6-3-1)11-19-15-8-10-18-16(20-15)14-7-4-9-17-12-14/h1-10,12H,11H2,(H,18,19,20)
InChIKeyRHFXRXCIBRZKBW-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.15
Rot. Bonds4

About N-benzyl-2-pyridin-3-ylpyrimidin-4-amine

N-benzyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 3233704) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is N-benzyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID3233704
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC NameN-benzyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESc1ccc(CNc2ccnc(-c3cccnc3)n2)cc1
InChIInChI=1S/C16H14N4/c1-2-5-13(6-3-1)11-19-15-8-10-18-16(20-15)14-7-4-9-17-12-14/h1-10,12H,11H2,(H,18,19,20)
InChIKeyRHFXRXCIBRZKBW-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 N-benzyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-benzyl-2-pyridin-3-ylpyrimidin-4-amine (CID 3233704) is N-benzyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-pyridin-3-ylpyrimidin-4-amine is c1ccc(CNc2ccnc(-c3cccnc3)n2)cc1.
What is the InChIKey of N-benzyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is RHFXRXCIBRZKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-2-5-13(6-3-1)11-19-15-8-10-18-16(20-15)14-7-4-9-17-12-14/h1-10,12H,11H2,(H,18,19,20).
What are the key properties of N-benzyl-2-pyridin-3-ylpyrimidin-4-amine?
N-benzyl-2-pyridin-3-ylpyrimidin-4-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 N-benzyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 3233704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).