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

C13H15ClN4 — CID 112670204

IUPAC4-chloro-6-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine
SMILESCCc1nn(C)cc1-c1nc(Cl)cc(C2CC2)n1
InChIInChI=1S/C13H15ClN4/c1-3-10-9(7-18(2)17-10)13-15-11(8-4-5-8)6-12(14)16-13/h6-8H,3-5H2,1-2H3
InChIKeyXCKWDHFVWDBVJI-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.97
Rot. Bonds3

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

4-chloro-6-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine (PubChem CID 112670204) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine
PubChem CID112670204
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name4-chloro-6-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine
SMILESCCc1nn(C)cc1-c1nc(Cl)cc(C2CC2)n1
InChIInChI=1S/C13H15ClN4/c1-3-10-9(7-18(2)17-10)13-15-11(8-4-5-8)6-12(14)16-13/h6-8H,3-5H2,1-2H3
InChIKeyXCKWDHFVWDBVJI-UHFFFAOYSA-N
XLogP2.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4,6-dichloro-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine
CID 112670214
4-chloro-6-cyclopentyl-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572477
4-chloro-6-cyclopropyl-2-naphthalen-1-ylpyrimidine
CID 63354926
5-bromo-6-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 112671013
5-bromo-4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyrimidine
CID 112670230
4-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 112670237
4-chloro-6-cyclopropyl-2-(2,4,6-trimethylphenyl)pyrimidine
CID 63353337
[3-(3-ethyl-1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 102813277
4-chloro-2-(1,3-dimethylpyrazol-4-yl)-6-methylpyrimidine
CID 83090000
4-chloro-6-cyclopropyl-2-(6-methoxypyrimidin-4-yl)pyrimidine
CID 102949860
4-chloro-6-cyclopropyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine
CID 66163099
3-(3-ethyl-1-methylpyrazol-4-yl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 102810804

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine (CID 112670204) is 4-chloro-6-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine is CCc1nn(C)cc1-c1nc(Cl)cc(C2CC2)n1.
What is the InChIKey of 4-chloro-6-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine?
The InChIKey is XCKWDHFVWDBVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-3-10-9(7-18(2)17-10)13-15-11(8-4-5-8)6-12(14)16-13/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-chloro-6-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine?
4-chloro-6-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine has a molecular weight of 262.74 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 112670204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).