4-chloro-2-methyl-6-(1-methylpyrazol-3-yl)pyrimidine

C9H9ClN4 — CID 103132027

IUPAC4-chloro-2-methyl-6-(1-methylpyrazol-3-yl)pyrimidine
SMILESCc1nc(Cl)cc(-c2ccn(C)n2)n1
InChIInChI=1S/C9H9ClN4/c1-6-11-8(5-9(10)12-6)7-3-4-14(2)13-7/h3-5H,1-2H3
InChIKeyFORLOEOHXMWKOD-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.84
Rot. Bonds1

About 4-chloro-2-methyl-6-(1-methylpyrazol-3-yl)pyrimidine

4-chloro-2-methyl-6-(1-methylpyrazol-3-yl)pyrimidine (PubChem CID 103132027) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-(1-methylpyrazol-3-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-(1-methylpyrazol-3-yl)pyrimidine
PubChem CID103132027
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name4-chloro-2-methyl-6-(1-methylpyrazol-3-yl)pyrimidine
SMILESCc1nc(Cl)cc(-c2ccn(C)n2)n1
InChIInChI=1S/C9H9ClN4/c1-6-11-8(5-9(10)12-6)7-3-4-14(2)13-7/h3-5H,1-2H3
InChIKeyFORLOEOHXMWKOD-UHFFFAOYSA-N
XLogP1.84
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-6-(1-methylpyrazol-3-yl)pyrimidine
CID 178078429
2-chloro-6-(1-methylpyrazol-3-yl)pyridin-4-amine
CID 146020711
6-chloro-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82873713
4-chloro-6-(2,5-dimethylpyrazol-3-yl)-2-methylpyrimidine
CID 121205795
6-chloro-2-methyl-N-(1-methylpyrazol-3-yl)pyrimidine-4-carboxamide
CID 75538764
3-(4-chloro-2-methylphenyl)-1-methylpyrazole
CID 176555071
4-methyl-2-(1-methylpyrazol-3-yl)pyridine
CID 130225331
4-chloro-6-(5-fluoro-2-pyridinyl)-2-methylpyrimidine
CID 178127314
4-chloro-6-(3,5-dichlorophenyl)-2-methylpyrimidine
CID 114879233
5-chloro-2-(1-methylpyrazol-3-yl)pyridine
CID 162761078
4-(4-tert-butylphenyl)-6-chloro-2-methylpyrimidine
CID 22135532
5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 65197715

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-(1-methylpyrazol-3-yl)pyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-(1-methylpyrazol-3-yl)pyrimidine (CID 103132027) is 4-chloro-2-methyl-6-(1-methylpyrazol-3-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-(1-methylpyrazol-3-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-(1-methylpyrazol-3-yl)pyrimidine is Cc1nc(Cl)cc(-c2ccn(C)n2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-(1-methylpyrazol-3-yl)pyrimidine?
The InChIKey is FORLOEOHXMWKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-6-11-8(5-9(10)12-6)7-3-4-14(2)13-7/h3-5H,1-2H3.
What are the key properties of 4-chloro-2-methyl-6-(1-methylpyrazol-3-yl)pyrimidine?
4-chloro-2-methyl-6-(1-methylpyrazol-3-yl)pyrimidine has a molecular weight of 208.65 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-(1-methylpyrazol-3-yl)pyrimidine is sourced from PubChem (CID 103132027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).