2-(5-amino-2-methylphenyl)-4-pyridin-3-ylpyrimidin-5-amine

C16H15N5 — CID 174672503

IUPAC2-(5-amino-2-methylphenyl)-4-pyridin-3-ylpyrimidin-5-amine
SMILESCc1ccc(N)cc1-c1ncc(N)c(-c2cccnc2)n1
InChIInChI=1S/C16H15N5/c1-10-4-5-12(17)7-13(10)16-20-9-14(18)15(21-16)11-3-2-6-19-8-11/h2-9H,17-18H2,1H3
InChIKeyWLLJZUKNKCREIN-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.68
Rot. Bonds2

About 2-(5-amino-2-methylphenyl)-4-pyridin-3-ylpyrimidin-5-amine

2-(5-amino-2-methylphenyl)-4-pyridin-3-ylpyrimidin-5-amine (PubChem CID 174672503) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(5-amino-2-methylphenyl)-4-pyridin-3-ylpyrimidin-5-amine.

Molecular Properties

Compound Name2-(5-amino-2-methylphenyl)-4-pyridin-3-ylpyrimidin-5-amine
PubChem CID174672503
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name2-(5-amino-2-methylphenyl)-4-pyridin-3-ylpyrimidin-5-amine
SMILESCc1ccc(N)cc1-c1ncc(N)c(-c2cccnc2)n1
InChIInChI=1S/C16H15N5/c1-10-4-5-12(17)7-13(10)16-20-9-14(18)15(21-16)11-3-2-6-19-8-11/h2-9H,17-18H2,1H3
InChIKeyWLLJZUKNKCREIN-UHFFFAOYSA-N
XLogP2.68
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-pyridin-3-ylpyridin-3-amine
CID 46315250
4-pyridin-3-yl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-13-amine
CID 59738015
4-methyl-3-quinolin-6-ylaniline
CID 81224667
4-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)benzoic acid
CID 99942334
5-methyl-6-pyridin-3-ylpyridazin-3-amine
CID 118165441
3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097
1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazol-4-amine
CID 83216124
4-methyl-3-(2-methylpyrimidin-5-yl)aniline
CID 170431309
3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)aniline
CID 10016509
4-methyl-3-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 87619876
5-methyl-4-phenyl-2-pyridin-3-ylaniline
CID 174549338
3-(2-methylphenyl)pyridine
CID 4133191

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylphenyl)-4-pyridin-3-ylpyrimidin-5-amine?
The IUPAC name of 2-(5-amino-2-methylphenyl)-4-pyridin-3-ylpyrimidin-5-amine (CID 174672503) is 2-(5-amino-2-methylphenyl)-4-pyridin-3-ylpyrimidin-5-amine.
What is the SMILES notation for 2-(5-amino-2-methylphenyl)-4-pyridin-3-ylpyrimidin-5-amine?
The canonical SMILES for 2-(5-amino-2-methylphenyl)-4-pyridin-3-ylpyrimidin-5-amine is Cc1ccc(N)cc1-c1ncc(N)c(-c2cccnc2)n1.
What is the InChIKey of 2-(5-amino-2-methylphenyl)-4-pyridin-3-ylpyrimidin-5-amine?
The InChIKey is WLLJZUKNKCREIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-10-4-5-12(17)7-13(10)16-20-9-14(18)15(21-16)11-3-2-6-19-8-11/h2-9H,17-18H2,1H3.
What are the key properties of 2-(5-amino-2-methylphenyl)-4-pyridin-3-ylpyrimidin-5-amine?
2-(5-amino-2-methylphenyl)-4-pyridin-3-ylpyrimidin-5-amine has a molecular weight of 277.33 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methylphenyl)-4-pyridin-3-ylpyrimidin-5-amine is sourced from PubChem (CID 174672503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).