4-chloro-6-cyclopropyl-2-(1-phenylcyclopentyl)pyrimidine

C18H19ClN2 — CID 63405805

IUPAC4-chloro-6-cyclopropyl-2-(1-phenylcyclopentyl)pyrimidine
SMILESClc1cc(C2CC2)nc(C2(c3ccccc3)CCCC2)n1
InChIInChI=1S/C18H19ClN2/c19-16-12-15(13-8-9-13)20-17(21-16)18(10-4-5-11-18)14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2
InChIKeyWCEGCRIWSIDMCA-UHFFFAOYSA-N
MW298.82 g/mol
LogP4.87
Rot. Bonds3

About 4-chloro-6-cyclopropyl-2-(1-phenylcyclopentyl)pyrimidine

4-chloro-6-cyclopropyl-2-(1-phenylcyclopentyl)pyrimidine (PubChem CID 63405805) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-2-(1-phenylcyclopentyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-2-(1-phenylcyclopentyl)pyrimidine
PubChem CID63405805
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name4-chloro-6-cyclopropyl-2-(1-phenylcyclopentyl)pyrimidine
SMILESClc1cc(C2CC2)nc(C2(c3ccccc3)CCCC2)n1
InChIInChI=1S/C18H19ClN2/c19-16-12-15(13-8-9-13)20-17(21-16)18(10-4-5-11-18)14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2
InChIKeyWCEGCRIWSIDMCA-UHFFFAOYSA-N
XLogP4.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-2-(1-phenylcyclopentyl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-2-(1-phenylcyclopentyl)pyrimidine (CID 63405805) is 4-chloro-6-cyclopropyl-2-(1-phenylcyclopentyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-2-(1-phenylcyclopentyl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-2-(1-phenylcyclopentyl)pyrimidine is Clc1cc(C2CC2)nc(C2(c3ccccc3)CCCC2)n1.
What is the InChIKey of 4-chloro-6-cyclopropyl-2-(1-phenylcyclopentyl)pyrimidine?
The InChIKey is WCEGCRIWSIDMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c19-16-12-15(13-8-9-13)20-17(21-16)18(10-4-5-11-18)14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2.
What are the key properties of 4-chloro-6-cyclopropyl-2-(1-phenylcyclopentyl)pyrimidine?
4-chloro-6-cyclopropyl-2-(1-phenylcyclopentyl)pyrimidine has a molecular weight of 298.82 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-2-(1-phenylcyclopentyl)pyrimidine is sourced from PubChem (CID 63405805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).