6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine

C16H15N5 — CID 117083923

IUPAC6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2)nc(Nc2ccncc2)n1
InChIInChI=1S/C16H15N5/c1-12-11-15(19-13-5-3-2-4-6-13)21-16(18-12)20-14-7-9-17-10-8-14/h2-11H,1H3,(H2,17,18,19,20,21)
InChIKeyKUTPSXNUKAGQGO-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.67
Rot. Bonds4

About 6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine

6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine (PubChem CID 117083923) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine
PubChem CID117083923
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2)nc(Nc2ccncc2)n1
InChIInChI=1S/C16H15N5/c1-12-11-15(19-13-5-3-2-4-6-13)21-16(18-12)20-14-7-9-17-10-8-14/h2-11H,1H3,(H2,17,18,19,20,21)
InChIKeyKUTPSXNUKAGQGO-UHFFFAOYSA-N
XLogP3.67
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112926861
2-N-(2,6-dimethylphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112926803
6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319
4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 83718542
methyl 4-[(2-anilino-6-methylpyrimidin-4-yl)amino]benzoate
CID 112926950
1-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]-3-phenylurea
CID 18566756
4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 5276763
6-methyl-4-N-(3-methylphenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927157
6-methyl-2-N-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919456
N-[3-[[2-(3-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931499
6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112926974
N-[4-[[2-(3-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931519

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine (CID 117083923) is 6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine is Cc1cc(Nc2ccccc2)nc(Nc2ccncc2)n1.
What is the InChIKey of 6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine?
The InChIKey is KUTPSXNUKAGQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-12-11-15(19-13-5-3-2-4-6-13)21-16(18-12)20-14-7-9-17-10-8-14/h2-11H,1H3,(H2,17,18,19,20,21).
What are the key properties of 6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine?
6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine has a molecular weight of 277.33 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 117083923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).