4,6-dichloro-5-cyclopentyl-2-(4-ethylphenyl)pyrimidine

C17H18Cl2N2 — CID 115926474

IUPAC4,6-dichloro-5-cyclopentyl-2-(4-ethylphenyl)pyrimidine
SMILESCCc1ccc(-c2nc(Cl)c(C3CCCC3)c(Cl)n2)cc1
InChIInChI=1S/C17H18Cl2N2/c1-2-11-7-9-13(10-8-11)17-20-15(18)14(16(19)21-17)12-5-3-4-6-12/h7-10,12H,2-6H2,1H3
InChIKeyQJRODKYHPJWVKM-UHFFFAOYSA-N
MW321.25 g/mol
LogP5.67
Rot. Bonds3

About 4,6-dichloro-5-cyclopentyl-2-(4-ethylphenyl)pyrimidine

4,6-dichloro-5-cyclopentyl-2-(4-ethylphenyl)pyrimidine (PubChem CID 115926474) has the molecular formula C17H18Cl2N2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 4,6-dichloro-5-cyclopentyl-2-(4-ethylphenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-cyclopentyl-2-(4-ethylphenyl)pyrimidine
PubChem CID115926474
Molecular FormulaC17H18Cl2N2
Molecular Weight321.25 g/mol
Exact Mass320.08
IUPAC Name4,6-dichloro-5-cyclopentyl-2-(4-ethylphenyl)pyrimidine
SMILESCCc1ccc(-c2nc(Cl)c(C3CCCC3)c(Cl)n2)cc1
InChIInChI=1S/C17H18Cl2N2/c1-2-11-7-9-13(10-8-11)17-20-15(18)14(16(19)21-17)12-5-3-4-6-12/h7-10,12H,2-6H2,1H3
InChIKeyQJRODKYHPJWVKM-UHFFFAOYSA-N
XLogP5.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.25
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6-trichloro-2-(4-ethylphenyl)pyrimidine
CID 87337394
4,6-dichloro-5-ethyl-2-(4-ethylphenyl)pyrimidine
CID 63611306
4,6-dichloro-2-(4-ethylphenyl)-5-fluoropyrimidine
CID 80550252
4-cyclohexyl-6-(4-ethylphenyl)-1,3,5-triazin-2-amine
CID 63867166
4,7-dichloro-2-(4-ethylphenyl)-8-methylquinazoline
CID 114589548
4,6-dichloro-5-cyclopentyl-2-(4-methyl-2-pyridinyl)pyrimidine
CID 115926418
4-chloro-2-(4-ethylphenyl)-6,8-dimethylquinazoline
CID 114590394
5-chloro-3-(4-ethylphenyl)-1,2,4-oxadiazole
CID 60984935
4,6-dichloro-2-(3-chloro-2-fluorophenyl)-5-cyclopentylpyrimidine
CID 114488377
4,6-dichloro-2-cycloheptyl-5-cyclopentylpyrimidine
CID 115926469
3-(4-ethylphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43627411
4-(5-bromo-4-chloro-6-cyclopentylpyrimidin-2-yl)phenol
CID 136730068

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-cyclopentyl-2-(4-ethylphenyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-cyclopentyl-2-(4-ethylphenyl)pyrimidine (CID 115926474) is 4,6-dichloro-5-cyclopentyl-2-(4-ethylphenyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-cyclopentyl-2-(4-ethylphenyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-cyclopentyl-2-(4-ethylphenyl)pyrimidine is CCc1ccc(-c2nc(Cl)c(C3CCCC3)c(Cl)n2)cc1.
What is the InChIKey of 4,6-dichloro-5-cyclopentyl-2-(4-ethylphenyl)pyrimidine?
The InChIKey is QJRODKYHPJWVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2/c1-2-11-7-9-13(10-8-11)17-20-15(18)14(16(19)21-17)12-5-3-4-6-12/h7-10,12H,2-6H2,1H3.
What are the key properties of 4,6-dichloro-5-cyclopentyl-2-(4-ethylphenyl)pyrimidine?
4,6-dichloro-5-cyclopentyl-2-(4-ethylphenyl)pyrimidine has a molecular weight of 321.25 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-cyclopentyl-2-(4-ethylphenyl)pyrimidine is sourced from PubChem (CID 115926474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).