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

C13H15ClN4 — CID 80952004

IUPAC4-chloro-2-cyclopropyl-6-(1-propylpyrazol-4-yl)pyrimidine
SMILESCCCn1cc(-c2cc(Cl)nc(C3CC3)n2)cn1
InChIInChI=1S/C13H15ClN4/c1-2-5-18-8-10(7-15-18)11-6-12(14)17-13(16-11)9-3-4-9/h6-9H,2-5H2,1H3
InChIKeyYPVNLTGFUBQYFP-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.28
Rot. Bonds4

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

4-chloro-2-cyclopropyl-6-(1-propylpyrazol-4-yl)pyrimidine (PubChem CID 80952004) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(1-propylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(1-propylpyrazol-4-yl)pyrimidine
PubChem CID80952004
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name4-chloro-2-cyclopropyl-6-(1-propylpyrazol-4-yl)pyrimidine
SMILESCCCn1cc(-c2cc(Cl)nc(C3CC3)n2)cn1
InChIInChI=1S/C13H15ClN4/c1-2-5-18-8-10(7-15-18)11-6-12(14)17-13(16-11)9-3-4-9/h6-9H,2-5H2,1H3
InChIKeyYPVNLTGFUBQYFP-UHFFFAOYSA-N
XLogP3.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 80948335
4-chloro-6-cyclopentyl-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572477
4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 107925460
4-chloro-2-(2-methylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715389
4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine
CID 80945558
4-chloro-2-(4-methylcyclohexyl)-6-phenylpyrimidine
CID 63404866
4-chloro-2-cyclopropyl-6-(3,5-difluorophenyl)pyrimidine
CID 80952148
4-chloro-2-cyclopropyl-6-(furan-3-yl)pyrimidine
CID 80952668
2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane
CID 145062525
4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572472
2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136692313
4-chloro-5-ethyl-6-methyl-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572446

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(1-propylpyrazol-4-yl)pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(1-propylpyrazol-4-yl)pyrimidine (CID 80952004) is 4-chloro-2-cyclopropyl-6-(1-propylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(1-propylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(1-propylpyrazol-4-yl)pyrimidine is CCCn1cc(-c2cc(Cl)nc(C3CC3)n2)cn1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(1-propylpyrazol-4-yl)pyrimidine?
The InChIKey is YPVNLTGFUBQYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-2-5-18-8-10(7-15-18)11-6-12(14)17-13(16-11)9-3-4-9/h6-9H,2-5H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-(1-propylpyrazol-4-yl)pyrimidine?
4-chloro-2-cyclopropyl-6-(1-propylpyrazol-4-yl)pyrimidine has a molecular weight of 262.74 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-(1-propylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 80952004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).