4-(3-amino-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine

C15H12ClN5 — CID 24990162

IUPAC4-(3-amino-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
SMILESNc1cnccc1-c1ccnc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C15H12ClN5/c16-10-2-1-3-11(8-10)20-15-19-7-5-14(21-15)12-4-6-18-9-13(12)17/h1-9H,17H2,(H,19,20,21)
InChIKeyVHLOHNCTEDBADG-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.52
Rot. Bonds3

About 4-(3-amino-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine

4-(3-amino-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine (PubChem CID 24990162) has the molecular formula C15H12ClN5 and a molecular weight of 297.75 g/mol. Its IUPAC name is 4-(3-amino-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-amino-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
PubChem CID24990162
Molecular FormulaC15H12ClN5
Molecular Weight297.75 g/mol
Exact Mass297.08
IUPAC Name4-(3-amino-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
SMILESNc1cnccc1-c1ccnc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C15H12ClN5/c16-10-2-1-3-11(8-10)20-15-19-7-5-14(21-15)12-4-6-18-9-13(12)17/h1-9H,17H2,(H,19,20,21)
InChIKeyVHLOHNCTEDBADG-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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Related Compounds

4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 24990163
N-(3-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
CID 11957767
N-(3-chlorophenyl)-4-(3-methylimidazol-4-yl)pyrimidin-2-amine
CID 22273498
N-(3-chlorophenyl)-4-(1,3-thiazol-5-yl)pyrimidin-2-amine
CID 91806914
4-[2-(aminomethyl)-4-pyridinyl]-N-(3-chlorophenyl)pyrimidin-2-amine
CID 67365498
N'-[3-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethane-1,2-diamine
CID 24986837
4-[3-(2-aminoethyl)imidazol-4-yl]-N-(3-chlorophenyl)pyrimidin-2-amine
CID 22273481
N-(3-chlorophenyl)-4-imidazo[1,2-a]pyrimidin-3-ylpyrimidin-2-amine
CID 57490549
N-(3-chlorophenyl)-4-(2-ethyl-4-pyridinyl)pyrimidin-2-amine
CID 67364353
4-(3-chlorophenyl)pyridin-3-amine
CID 82396448
2-(3-chloroanilino)pyrimidine-4-carbothioamide
CID 107546376
1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethanone
CID 67365361

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-amino-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine (CID 24990162) is 4-(3-amino-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-amino-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-amino-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine is Nc1cnccc1-c1ccnc(Nc2cccc(Cl)c2)n1.
What is the InChIKey of 4-(3-amino-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine?
The InChIKey is VHLOHNCTEDBADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5/c16-10-2-1-3-11(8-10)20-15-19-7-5-14(21-15)12-4-6-18-9-13(12)17/h1-9H,17H2,(H,19,20,21).
What are the key properties of 4-(3-amino-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine?
4-(3-amino-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-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-(3-amino-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 24990162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).