4-chloro-6-cyclopentyl-2-(1-propylpyrazol-4-yl)pyrimidine

C15H19ClN4 — CID 103572477

IUPAC4-chloro-6-cyclopentyl-2-(1-propylpyrazol-4-yl)pyrimidine
SMILESCCCn1cc(-c2nc(Cl)cc(C3CCCC3)n2)cn1
InChIInChI=1S/C15H19ClN4/c1-2-7-20-10-12(9-17-20)15-18-13(8-14(16)19-15)11-5-3-4-6-11/h8-11H,2-7H2,1H3
InChIKeyMMCKORIJDOSBLI-UHFFFAOYSA-N
MW290.80 g/mol
LogP4.06
Rot. Bonds4

About 4-chloro-6-cyclopentyl-2-(1-propylpyrazol-4-yl)pyrimidine

4-chloro-6-cyclopentyl-2-(1-propylpyrazol-4-yl)pyrimidine (PubChem CID 103572477) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 4-chloro-6-cyclopentyl-2-(1-propylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopentyl-2-(1-propylpyrazol-4-yl)pyrimidine
PubChem CID103572477
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name4-chloro-6-cyclopentyl-2-(1-propylpyrazol-4-yl)pyrimidine
SMILESCCCn1cc(-c2nc(Cl)cc(C3CCCC3)n2)cn1
InChIInChI=1S/C15H19ClN4/c1-2-7-20-10-12(9-17-20)15-18-13(8-14(16)19-15)11-5-3-4-6-11/h8-11H,2-7H2,1H3
InChIKeyMMCKORIJDOSBLI-UHFFFAOYSA-N
XLogP4.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-cyclopropyl-6-(1-propylpyrazol-4-yl)pyrimidine
CID 80952004
4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572472
4,6-dichloro-5-propan-2-yl-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572455
4-chloro-6-cyclopropyl-2-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine
CID 112670204
5-bromo-4-chloro-6-cyclopentyl-2-(1-ethylpyrazol-4-yl)pyrimidine
CID 103570166
4-chloro-6-(chloromethyl)-2-(1-ethylpyrazol-4-yl)pyrimidine
CID 95732740
4-chloro-5-ethyl-6-methyl-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572446
2-cyclopropyl-N-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 80948335
2,6-dichloro-4-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine
CID 163201424
2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane
CID 145062525
[2-(1-propylpyrazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 103573096
5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573052

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopentyl-2-(1-propylpyrazol-4-yl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopentyl-2-(1-propylpyrazol-4-yl)pyrimidine (CID 103572477) is 4-chloro-6-cyclopentyl-2-(1-propylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopentyl-2-(1-propylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopentyl-2-(1-propylpyrazol-4-yl)pyrimidine is CCCn1cc(-c2nc(Cl)cc(C3CCCC3)n2)cn1.
What is the InChIKey of 4-chloro-6-cyclopentyl-2-(1-propylpyrazol-4-yl)pyrimidine?
The InChIKey is MMCKORIJDOSBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-2-7-20-10-12(9-17-20)15-18-13(8-14(16)19-15)11-5-3-4-6-11/h8-11H,2-7H2,1H3.
What are the key properties of 4-chloro-6-cyclopentyl-2-(1-propylpyrazol-4-yl)pyrimidine?
4-chloro-6-cyclopentyl-2-(1-propylpyrazol-4-yl)pyrimidine has a molecular weight of 290.80 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopentyl-2-(1-propylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 103572477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).