N-[(3-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine

C17H16N4 — CID 3233467

IUPACN-[(3-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1cccc(CNc2ccnc(-c3cccnc3)n2)c1
InChIInChI=1S/C17H16N4/c1-13-4-2-5-14(10-13)11-20-16-7-9-19-17(21-16)15-6-3-8-18-12-15/h2-10,12H,11H2,1H3,(H,19,20,21)
InChIKeyCUCAHHHOAQSGHY-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.46
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine

N-[(3-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 3233467) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID3233467
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC NameN-[(3-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1cccc(CNc2ccnc(-c3cccnc3)n2)c1
InChIInChI=1S/C17H16N4/c1-13-4-2-5-14(10-13)11-20-16-7-9-19-17(21-16)15-6-3-8-18-12-15/h2-10,12H,11H2,1H3,(H,19,20,21)
InChIKeyCUCAHHHOAQSGHY-UHFFFAOYSA-N
XLogP3.46
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine (CID 3233467) is N-[(3-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine is Cc1cccc(CNc2ccnc(-c3cccnc3)n2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is CUCAHHHOAQSGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-13-4-2-5-14(10-13)11-20-16-7-9-19-17(21-16)15-6-3-8-18-12-15/h2-10,12H,11H2,1H3,(H,19,20,21).
What are the key properties of N-[(3-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine?
N-[(3-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 276.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 3233467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).