5-(2-aminophenyl)-N-(6-methyl-3-pyridinyl)pyrimidin-2-amine

C16H15N5 — CID 139437886

IUPAC5-(2-aminophenyl)-N-(6-methyl-3-pyridinyl)pyrimidin-2-amine
SMILESCc1ccc(Nc2ncc(-c3ccccc3N)cn2)cn1
InChIInChI=1S/C16H15N5/c1-11-6-7-13(10-18-11)21-16-19-8-12(9-20-16)14-4-2-3-5-15(14)17/h2-10H,17H2,1H3,(H,19,20,21)
InChIKeyODGPBWFHSNFBGY-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.17
Rot. Bonds3

About 5-(2-aminophenyl)-N-(6-methyl-3-pyridinyl)pyrimidin-2-amine

5-(2-aminophenyl)-N-(6-methyl-3-pyridinyl)pyrimidin-2-amine (PubChem CID 139437886) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 5-(2-aminophenyl)-N-(6-methyl-3-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-aminophenyl)-N-(6-methyl-3-pyridinyl)pyrimidin-2-amine
PubChem CID139437886
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name5-(2-aminophenyl)-N-(6-methyl-3-pyridinyl)pyrimidin-2-amine
SMILESCc1ccc(Nc2ncc(-c3ccccc3N)cn2)cn1
InChIInChI=1S/C16H15N5/c1-11-6-7-13(10-18-11)21-16-19-8-12(9-20-16)14-4-2-3-5-15(14)17/h2-10H,17H2,1H3,(H,19,20,21)
InChIKeyODGPBWFHSNFBGY-UHFFFAOYSA-N
XLogP3.17
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminophenyl)-N-(6-methyl-3-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 5-(2-aminophenyl)-N-(6-methyl-3-pyridinyl)pyrimidin-2-amine (CID 139437886) is 5-(2-aminophenyl)-N-(6-methyl-3-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(2-aminophenyl)-N-(6-methyl-3-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 5-(2-aminophenyl)-N-(6-methyl-3-pyridinyl)pyrimidin-2-amine is Cc1ccc(Nc2ncc(-c3ccccc3N)cn2)cn1.
What is the InChIKey of 5-(2-aminophenyl)-N-(6-methyl-3-pyridinyl)pyrimidin-2-amine?
The InChIKey is ODGPBWFHSNFBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-11-6-7-13(10-18-11)21-16-19-8-12(9-20-16)14-4-2-3-5-15(14)17/h2-10H,17H2,1H3,(H,19,20,21).
What are the key properties of 5-(2-aminophenyl)-N-(6-methyl-3-pyridinyl)pyrimidin-2-amine?
5-(2-aminophenyl)-N-(6-methyl-3-pyridinyl)pyrimidin-2-amine has a molecular weight of 277.33 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminophenyl)-N-(6-methyl-3-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 139437886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).