4-chloro-2-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C15H21ClN2 — CID 65391574

IUPAC4-chloro-2-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCC1(C)CCC(c2nc(Cl)c3c(n2)CCC3)CC1
InChIInChI=1S/C15H21ClN2/c1-15(2)8-6-10(7-9-15)14-17-12-5-3-4-11(12)13(16)18-14/h10H,3-9H2,1-2H3
InChIKeyVGCWUBPWYNRBCE-UHFFFAOYSA-N
MW264.80 g/mol
LogP4.30
Rot. Bonds1

About 4-chloro-2-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-chloro-2-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 65391574) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 4-chloro-2-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID65391574
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name4-chloro-2-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCC1(C)CCC(c2nc(Cl)c3c(n2)CCC3)CC1
InChIInChI=1S/C15H21ClN2/c1-15(2)8-6-10(7-9-15)14-17-12-5-3-4-11(12)13(16)18-14/h10H,3-9H2,1-2H3
InChIKeyVGCWUBPWYNRBCE-UHFFFAOYSA-N
XLogP4.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-chloro-2-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 65391574) is 4-chloro-2-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-chloro-2-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is CC1(C)CCC(c2nc(Cl)c3c(n2)CCC3)CC1.
What is the InChIKey of 4-chloro-2-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is VGCWUBPWYNRBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-15(2)8-6-10(7-9-15)14-17-12-5-3-4-11(12)13(16)18-14/h10H,3-9H2,1-2H3.
What are the key properties of 4-chloro-2-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-chloro-2-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 264.80 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 65391574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).