5-bromo-4-chloro-6-cyclopentyl-2-(1-ethylpyrazol-4-yl)pyrimidine

C14H16BrClN4 — CID 103570166

IUPAC5-bromo-4-chloro-6-cyclopentyl-2-(1-ethylpyrazol-4-yl)pyrimidine
SMILESCCn1cc(-c2nc(Cl)c(Br)c(C3CCCC3)n2)cn1
InChIInChI=1S/C14H16BrClN4/c1-2-20-8-10(7-17-20)14-18-12(9-5-3-4-6-9)11(15)13(16)19-14/h7-9H,2-6H2,1H3
InChIKeyIYSVEDDVGNPRGR-UHFFFAOYSA-N
MW355.67 g/mol
LogP4.43
Rot. Bonds3

About 5-bromo-4-chloro-6-cyclopentyl-2-(1-ethylpyrazol-4-yl)pyrimidine

5-bromo-4-chloro-6-cyclopentyl-2-(1-ethylpyrazol-4-yl)pyrimidine (PubChem CID 103570166) has the molecular formula C14H16BrClN4 and a molecular weight of 355.67 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-cyclopentyl-2-(1-ethylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-cyclopentyl-2-(1-ethylpyrazol-4-yl)pyrimidine
PubChem CID103570166
Molecular FormulaC14H16BrClN4
Molecular Weight355.67 g/mol
Exact Mass354.02
IUPAC Name5-bromo-4-chloro-6-cyclopentyl-2-(1-ethylpyrazol-4-yl)pyrimidine
SMILESCCn1cc(-c2nc(Cl)c(Br)c(C3CCCC3)n2)cn1
InChIInChI=1S/C14H16BrClN4/c1-2-20-8-10(7-17-20)14-18-12(9-5-3-4-6-9)11(15)13(16)19-14/h7-9H,2-6H2,1H3
InChIKeyIYSVEDDVGNPRGR-UHFFFAOYSA-N
XLogP4.43
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.67
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine
CID 103570148
4-(5-bromo-4-chloro-6-cyclopentylpyrimidin-2-yl)phenol
CID 136730068
4-chloro-6-cyclopentyl-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572477
5-bromo-2-(3-bromothiophen-2-yl)-4-chloro-6-cyclopentylpyrimidine
CID 113390303
4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 103570156
4-chloro-6-(chloromethyl)-2-(1-ethylpyrazol-4-yl)pyrimidine
CID 95732740
4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-phenylpyrimidine
CID 103570147
4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572472
5-bromo-4-chloro-6-cyclopropyl-2-(3-cyclopropylphenyl)pyrimidine
CID 79971130
5-bromo-4-chloro-6-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 66311908
5-bromo-2-(1-ethylpyrazol-4-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 103570523
5-bromo-2-(3-bromo-4-methoxyphenyl)-4-chloro-6-cyclopropylpyrimidine
CID 66313078

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-cyclopentyl-2-(1-ethylpyrazol-4-yl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-cyclopentyl-2-(1-ethylpyrazol-4-yl)pyrimidine (CID 103570166) is 5-bromo-4-chloro-6-cyclopentyl-2-(1-ethylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-cyclopentyl-2-(1-ethylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-cyclopentyl-2-(1-ethylpyrazol-4-yl)pyrimidine is CCn1cc(-c2nc(Cl)c(Br)c(C3CCCC3)n2)cn1.
What is the InChIKey of 5-bromo-4-chloro-6-cyclopentyl-2-(1-ethylpyrazol-4-yl)pyrimidine?
The InChIKey is IYSVEDDVGNPRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN4/c1-2-20-8-10(7-17-20)14-18-12(9-5-3-4-6-9)11(15)13(16)19-14/h7-9H,2-6H2,1H3.
What are the key properties of 5-bromo-4-chloro-6-cyclopentyl-2-(1-ethylpyrazol-4-yl)pyrimidine?
5-bromo-4-chloro-6-cyclopentyl-2-(1-ethylpyrazol-4-yl)pyrimidine has a molecular weight of 355.67 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-cyclopentyl-2-(1-ethylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 103570166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).