5-chloro-4-N-(2-pyridin-2-ylphenyl)pyrimidine-2,4-diamine

C15H12ClN5 — CID 141202676

IUPAC5-chloro-4-N-(2-pyridin-2-ylphenyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Cl)c(Nc2ccccc2-c2ccccn2)n1
InChIInChI=1S/C15H12ClN5/c16-11-9-19-15(17)21-14(11)20-13-7-2-1-5-10(13)12-6-3-4-8-18-12/h1-9H,(H3,17,19,20,21)
InChIKeyJOTMMZZPMHFXNL-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.52
Rot. Bonds3

About 5-chloro-4-N-(2-pyridin-2-ylphenyl)pyrimidine-2,4-diamine

5-chloro-4-N-(2-pyridin-2-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 141202676) has the molecular formula C15H12ClN5 and a molecular weight of 297.75 g/mol. Its IUPAC name is 5-chloro-4-N-(2-pyridin-2-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2-pyridin-2-ylphenyl)pyrimidine-2,4-diamine
PubChem CID141202676
Molecular FormulaC15H12ClN5
Molecular Weight297.75 g/mol
Exact Mass297.08
IUPAC Name5-chloro-4-N-(2-pyridin-2-ylphenyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Cl)c(Nc2ccccc2-c2ccccn2)n1
InChIInChI=1S/C15H12ClN5/c16-11-9-19-15(17)21-14(11)20-13-7-2-1-5-10(13)12-6-3-4-8-18-12/h1-9H,(H3,17,19,20,21)
InChIKeyJOTMMZZPMHFXNL-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 5-chloro-4-N-(2-pyridin-2-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2-pyridin-2-ylphenyl)pyrimidine-2,4-diamine (CID 141202676) is 5-chloro-4-N-(2-pyridin-2-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2-pyridin-2-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2-pyridin-2-ylphenyl)pyrimidine-2,4-diamine is Nc1ncc(Cl)c(Nc2ccccc2-c2ccccn2)n1.
What is the InChIKey of 5-chloro-4-N-(2-pyridin-2-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is JOTMMZZPMHFXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5/c16-11-9-19-15(17)21-14(11)20-13-7-2-1-5-10(13)12-6-3-4-8-18-12/h1-9H,(H3,17,19,20,21).
What are the key properties of 5-chloro-4-N-(2-pyridin-2-ylphenyl)pyrimidine-2,4-diamine?
5-chloro-4-N-(2-pyridin-2-ylphenyl)pyrimidine-2,4-diamine 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 5-chloro-4-N-(2-pyridin-2-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 141202676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).