6-(4-chloropyrazol-1-yl)-N,2-dimethylpyrimidin-4-amine

C9H10ClN5 — CID 80856995

IUPAC6-(4-chloropyrazol-1-yl)-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(-n2cc(Cl)cn2)nc(C)n1
InChIInChI=1S/C9H10ClN5/c1-6-13-8(11-2)3-9(14-6)15-5-7(10)4-12-15/h3-5H,1-2H3,(H,11,13,14)
InChIKeyLYKKZUTZTICNLA-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.67
Rot. Bonds2

About 6-(4-chloropyrazol-1-yl)-N,2-dimethylpyrimidin-4-amine

6-(4-chloropyrazol-1-yl)-N,2-dimethylpyrimidin-4-amine (PubChem CID 80856995) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 6-(4-chloropyrazol-1-yl)-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloropyrazol-1-yl)-N,2-dimethylpyrimidin-4-amine
PubChem CID80856995
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name6-(4-chloropyrazol-1-yl)-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(-n2cc(Cl)cn2)nc(C)n1
InChIInChI=1S/C9H10ClN5/c1-6-13-8(11-2)3-9(14-6)15-5-7(10)4-12-15/h3-5H,1-2H3,(H,11,13,14)
InChIKeyLYKKZUTZTICNLA-UHFFFAOYSA-N
XLogP1.67
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea
CID 134133048
5-bromo-4-N-methyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467620
5-Chloro-2,6-di(pyrazol-1-yl)pyrimidin-4-amine
CID 53467826
2-chloro-N-(1-propyltetrazol-5-yl)pyrimidin-4-amine
CID 168294048
6-(1H-pyrazol-1-yl)pyrimidin-4-amine
CID 10749494
1-Butyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea
CID 134133755
1-Ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)urea
CID 134134239
1-Propan-2-yl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea
CID 134141571
1-Methyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea
CID 134141651
Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, N(sup 4)-2-propenyl-, hydrochloride, hydrate (2:2:1)
CID 3054734
4-Chloro-6-(1H-pyrazol-1-yl)pyrimidine
CID 10631239
2-chloro-4-(1H-pyrazol-1-yl)pyrimidine
CID 21992219

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloropyrazol-1-yl)-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloropyrazol-1-yl)-N,2-dimethylpyrimidin-4-amine (CID 80856995) is 6-(4-chloropyrazol-1-yl)-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloropyrazol-1-yl)-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloropyrazol-1-yl)-N,2-dimethylpyrimidin-4-amine is CNc1cc(-n2cc(Cl)cn2)nc(C)n1.
What is the InChIKey of 6-(4-chloropyrazol-1-yl)-N,2-dimethylpyrimidin-4-amine?
The InChIKey is LYKKZUTZTICNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-6-13-8(11-2)3-9(14-6)15-5-7(10)4-12-15/h3-5H,1-2H3,(H,11,13,14).
What are the key properties of 6-(4-chloropyrazol-1-yl)-N,2-dimethylpyrimidin-4-amine?
6-(4-chloropyrazol-1-yl)-N,2-dimethylpyrimidin-4-amine has a molecular weight of 223.67 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloropyrazol-1-yl)-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80856995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).