6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-pyrazin-2-ylpyrimidin-4-amine

C13H12ClN7 — CID 72945516

IUPAC6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-pyrazin-2-ylpyrimidin-4-amine
SMILESCc1cc(C)n(-c2nc(Cl)cc(Nc3cnccn3)n2)n1
InChIInChI=1S/C13H12ClN7/c1-8-5-9(2)21(20-8)13-17-10(14)6-11(19-13)18-12-7-15-3-4-16-12/h3-7H,1-2H3,(H,16,17,18,19)
InChIKeyAWCHGHUMRKRDPU-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.47
Rot. Bonds3

About 6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-pyrazin-2-ylpyrimidin-4-amine

6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-pyrazin-2-ylpyrimidin-4-amine (PubChem CID 72945516) has the molecular formula C13H12ClN7 and a molecular weight of 301.74 g/mol. Its IUPAC name is 6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-pyrazin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-pyrazin-2-ylpyrimidin-4-amine
PubChem CID72945516
Molecular FormulaC13H12ClN7
Molecular Weight301.74 g/mol
Exact Mass301.08
IUPAC Name6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-pyrazin-2-ylpyrimidin-4-amine
SMILESCc1cc(C)n(-c2nc(Cl)cc(Nc3cnccn3)n2)n1
InChIInChI=1S/C13H12ClN7/c1-8-5-9(2)21(20-8)13-17-10(14)6-11(19-13)18-12-7-15-3-4-16-12/h3-7H,1-2H3,(H,16,17,18,19)
InChIKeyAWCHGHUMRKRDPU-UHFFFAOYSA-N
XLogP2.47
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-pyrazin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-pyrazin-2-ylpyrimidin-4-amine (CID 72945516) is 6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-pyrazin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-pyrazin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-pyrazin-2-ylpyrimidin-4-amine is Cc1cc(C)n(-c2nc(Cl)cc(Nc3cnccn3)n2)n1.
What is the InChIKey of 6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-pyrazin-2-ylpyrimidin-4-amine?
The InChIKey is AWCHGHUMRKRDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN7/c1-8-5-9(2)21(20-8)13-17-10(14)6-11(19-13)18-12-7-15-3-4-16-12/h3-7H,1-2H3,(H,16,17,18,19).
What are the key properties of 6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-pyrazin-2-ylpyrimidin-4-amine?
6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-pyrazin-2-ylpyrimidin-4-amine has a molecular weight of 301.74 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3,5-dimethylpyrazol-1-yl)-N-pyrazin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 72945516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).