4-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)pyrimidin-5-amine

C15H12ClN5 — CID 71048937

IUPAC4-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)pyrimidin-5-amine
SMILESNc1cncc(-c2ncncc2Nc2cccc(Cl)c2)c1
InChIInChI=1S/C15H12ClN5/c16-11-2-1-3-13(5-11)21-14-8-19-9-20-15(14)10-4-12(17)7-18-6-10/h1-9,21H,17H2
InChIKeyALMUIILLHGRJHM-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.52
Rot. Bonds3

About 4-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)pyrimidin-5-amine

4-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)pyrimidin-5-amine (PubChem CID 71048937) has the molecular formula C15H12ClN5 and a molecular weight of 297.75 g/mol. Its IUPAC name is 4-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)pyrimidin-5-amine
PubChem CID71048937
Molecular FormulaC15H12ClN5
Molecular Weight297.75 g/mol
Exact Mass297.08
IUPAC Name4-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)pyrimidin-5-amine
SMILESNc1cncc(-c2ncncc2Nc2cccc(Cl)c2)c1
InChIInChI=1S/C15H12ClN5/c16-11-2-1-3-13(5-11)21-14-8-19-9-20-15(14)10-4-12(17)7-18-6-10/h1-9,21H,17H2
InChIKeyALMUIILLHGRJHM-UHFFFAOYSA-N
XLogP3.52
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)pyrimidin-5-amine?
The IUPAC name of 4-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)pyrimidin-5-amine (CID 71048937) is 4-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)pyrimidin-5-amine.
What is the SMILES notation for 4-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)pyrimidin-5-amine?
The canonical SMILES for 4-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)pyrimidin-5-amine is Nc1cncc(-c2ncncc2Nc2cccc(Cl)c2)c1.
What is the InChIKey of 4-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)pyrimidin-5-amine?
The InChIKey is ALMUIILLHGRJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5/c16-11-2-1-3-13(5-11)21-14-8-19-9-20-15(14)10-4-12(17)7-18-6-10/h1-9,21H,17H2.
What are the key properties of 4-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)pyrimidin-5-amine?
4-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)pyrimidin-5-amine has a molecular weight of 297.75 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)pyrimidin-5-amine is sourced from PubChem (CID 71048937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).