4-chloro-5-ethyl-6-methyl-2-(1-propylpyrazol-4-yl)pyrimidine

C13H17ClN4 — CID 103572446

IUPAC4-chloro-5-ethyl-6-methyl-2-(1-propylpyrazol-4-yl)pyrimidine
SMILESCCCn1cc(-c2nc(C)c(CC)c(Cl)n2)cn1
InChIInChI=1S/C13H17ClN4/c1-4-6-18-8-10(7-15-18)13-16-9(3)11(5-2)12(14)17-13/h7-8H,4-6H2,1-3H3
InChIKeyVKWUTXBMPFOFBI-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.27
Rot. Bonds4

About 4-chloro-5-ethyl-6-methyl-2-(1-propylpyrazol-4-yl)pyrimidine

4-chloro-5-ethyl-6-methyl-2-(1-propylpyrazol-4-yl)pyrimidine (PubChem CID 103572446) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-methyl-2-(1-propylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-methyl-2-(1-propylpyrazol-4-yl)pyrimidine
PubChem CID103572446
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name4-chloro-5-ethyl-6-methyl-2-(1-propylpyrazol-4-yl)pyrimidine
SMILESCCCn1cc(-c2nc(C)c(CC)c(Cl)n2)cn1
InChIInChI=1S/C13H17ClN4/c1-4-6-18-8-10(7-15-18)13-16-9(3)11(5-2)12(14)17-13/h7-8H,4-6H2,1-3H3
InChIKeyVKWUTXBMPFOFBI-UHFFFAOYSA-N
XLogP3.27
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine
CID 103570148
2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane
CID 145062525
4-chloro-6-cyclopentyl-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572477
4-chloro-5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyrimidine
CID 80975700
6-ethyl-5-iodo-N-methyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573035
N,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573036
6-methyl-5-(1-propylpyrazol-4-yl)pyridin-2-amine
CID 79048911
5-(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)-1-methyl-2,3-dihydroindole
CID 62096844
4-chloro-2-cyclopropyl-6-(1-propylpyrazol-4-yl)pyrimidine
CID 80952004
4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 103570156

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-methyl-2-(1-propylpyrazol-4-yl)pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-methyl-2-(1-propylpyrazol-4-yl)pyrimidine (CID 103572446) is 4-chloro-5-ethyl-6-methyl-2-(1-propylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-methyl-2-(1-propylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-methyl-2-(1-propylpyrazol-4-yl)pyrimidine is CCCn1cc(-c2nc(C)c(CC)c(Cl)n2)cn1.
What is the InChIKey of 4-chloro-5-ethyl-6-methyl-2-(1-propylpyrazol-4-yl)pyrimidine?
The InChIKey is VKWUTXBMPFOFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-4-6-18-8-10(7-15-18)13-16-9(3)11(5-2)12(14)17-13/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-chloro-5-ethyl-6-methyl-2-(1-propylpyrazol-4-yl)pyrimidine?
4-chloro-5-ethyl-6-methyl-2-(1-propylpyrazol-4-yl)pyrimidine has a molecular weight of 264.76 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-methyl-2-(1-propylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 103572446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).