4,6-dichloro-5-cyclopentyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine

C15H18Cl2N4 — CID 115926489

IUPAC4,6-dichloro-5-cyclopentyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine
SMILESCC(C)n1cncc1-c1nc(Cl)c(C2CCCC2)c(Cl)n1
InChIInChI=1S/C15H18Cl2N4/c1-9(2)21-8-18-7-11(21)15-19-13(16)12(14(17)20-15)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3
InChIKeyPKZZHHCSGQWFPS-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.89
Rot. Bonds3

About 4,6-dichloro-5-cyclopentyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine

4,6-dichloro-5-cyclopentyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine (PubChem CID 115926489) has the molecular formula C15H18Cl2N4 and a molecular weight of 325.24 g/mol. Its IUPAC name is 4,6-dichloro-5-cyclopentyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-cyclopentyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine
PubChem CID115926489
Molecular FormulaC15H18Cl2N4
Molecular Weight325.24 g/mol
Exact Mass324.09
IUPAC Name4,6-dichloro-5-cyclopentyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine
SMILESCC(C)n1cncc1-c1nc(Cl)c(C2CCCC2)c(Cl)n1
InChIInChI=1S/C15H18Cl2N4/c1-9(2)21-8-18-7-11(21)15-19-13(16)12(14(17)20-15)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3
InChIKeyPKZZHHCSGQWFPS-UHFFFAOYSA-N
XLogP4.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-cyclopentyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-cyclopentyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine (CID 115926489) is 4,6-dichloro-5-cyclopentyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-cyclopentyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-cyclopentyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine is CC(C)n1cncc1-c1nc(Cl)c(C2CCCC2)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-cyclopentyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine?
The InChIKey is PKZZHHCSGQWFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4/c1-9(2)21-8-18-7-11(21)15-19-13(16)12(14(17)20-15)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3.
What are the key properties of 4,6-dichloro-5-cyclopentyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine?
4,6-dichloro-5-cyclopentyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine has a molecular weight of 325.24 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-cyclopentyl-2-(3-propan-2-ylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 115926489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).