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

C15H16Cl2N4 — CID 115926483

IUPAC4,6-dichloro-5-cyclopentyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine
SMILESClc1nc(-c2cncn2C2CC2)nc(Cl)c1C1CCCC1
InChIInChI=1S/C15H16Cl2N4/c16-13-12(9-3-1-2-4-9)14(17)20-15(19-13)11-7-18-8-21(11)10-5-6-10/h7-10H,1-6H2
InChIKeyAONVQNVKNLFEIU-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.64
Rot. Bonds3

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

4,6-dichloro-5-cyclopentyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine (PubChem CID 115926483) has the molecular formula C15H16Cl2N4 and a molecular weight of 323.23 g/mol. Its IUPAC name is 4,6-dichloro-5-cyclopentyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-cyclopentyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine
PubChem CID115926483
Molecular FormulaC15H16Cl2N4
Molecular Weight323.23 g/mol
Exact Mass322.08
IUPAC Name4,6-dichloro-5-cyclopentyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine
SMILESClc1nc(-c2cncn2C2CC2)nc(Cl)c1C1CCCC1
InChIInChI=1S/C15H16Cl2N4/c16-13-12(9-3-1-2-4-9)14(17)20-15(19-13)11-7-18-8-21(11)10-5-6-10/h7-10H,1-6H2
InChIKeyAONVQNVKNLFEIU-UHFFFAOYSA-N
XLogP4.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.64
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-cyclopropylimidazol-4-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-cyclopentyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine (CID 115926483) is 4,6-dichloro-5-cyclopentyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-cyclopentyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-cyclopentyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine is Clc1nc(-c2cncn2C2CC2)nc(Cl)c1C1CCCC1.
What is the InChIKey of 4,6-dichloro-5-cyclopentyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine?
The InChIKey is AONVQNVKNLFEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4/c16-13-12(9-3-1-2-4-9)14(17)20-15(19-13)11-7-18-8-21(11)10-5-6-10/h7-10H,1-6H2.
What are the key properties of 4,6-dichloro-5-cyclopentyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine?
4,6-dichloro-5-cyclopentyl-2-(3-cyclopropylimidazol-4-yl)pyrimidine has a molecular weight of 323.23 g/mol, XLogP of 4.64, 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-cyclopropylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 115926483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).