4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-methylpyrimidine

C10H11ClN4 — CID 79583994

IUPAC4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-methylpyrimidine
SMILESCc1cc(Cl)nc(-c2cnn(C)c2C)n1
InChIInChI=1S/C10H11ClN4/c1-6-4-9(11)14-10(13-6)8-5-12-15(3)7(8)2/h4-5H,1-3H3
InChIKeyVCYSNKAJZQXIGG-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.15
Rot. Bonds1

About 4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-methylpyrimidine

4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-methylpyrimidine (PubChem CID 79583994) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-methylpyrimidine
PubChem CID79583994
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-methylpyrimidine
SMILESCc1cc(Cl)nc(-c2cnn(C)c2C)n1
InChIInChI=1S/C10H11ClN4/c1-6-4-9(11)14-10(13-6)8-5-12-15(3)7(8)2/h4-5H,1-3H3
InChIKeyVCYSNKAJZQXIGG-UHFFFAOYSA-N
XLogP2.15
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-phenylpyrimidine
CID 79583813
4-chloro-2-(1,3-dimethylpyrazol-4-yl)-6-methylpyrimidine
CID 83090000
5-bromo-4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-propan-2-ylpyrimidine
CID 79584092
4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-methylpyrimidine
CID 107502259
4-chloro-2-(5-fluoro-2-methylphenyl)-6-methylpyrimidine
CID 62387743
5-chloro-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole
CID 80646470
2-(1,5-dimethylpyrazol-4-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 79584035
2-(1,5-dimethylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 79584315
2-chloro-3-(1,5-dimethylpyrazol-4-yl)pyrazine
CID 112559067
3-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 139378787
5-bromo-6-tert-butyl-2-(1,5-dimethylpyrazol-4-yl)pyrimidin-4-amine
CID 79584597
[2-(1,5-dimethylpyrazol-4-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 79584800

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-methylpyrimidine (CID 79583994) is 4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-methylpyrimidine is Cc1cc(Cl)nc(-c2cnn(C)c2C)n1.
What is the InChIKey of 4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-methylpyrimidine?
The InChIKey is VCYSNKAJZQXIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-6-4-9(11)14-10(13-6)8-5-12-15(3)7(8)2/h4-5H,1-3H3.
What are the key properties of 4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-methylpyrimidine?
4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-methylpyrimidine has a molecular weight of 222.68 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-methylpyrimidine is sourced from PubChem (CID 79583994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).