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

C15H20Cl2N2 — CID 112569446

IUPAC4,6-dichloro-5-cyclopentyl-2-(3-methylcyclopentyl)pyrimidine
SMILESCC1CCC(c2nc(Cl)c(C3CCCC3)c(Cl)n2)C1
InChIInChI=1S/C15H20Cl2N2/c1-9-6-7-11(8-9)15-18-13(16)12(14(17)19-15)10-4-2-3-5-10/h9-11H,2-8H2,1H3
InChIKeyYVFLWWBFBNIKHV-UHFFFAOYSA-N
MW299.25 g/mol
LogP5.34
Rot. Bonds2

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

4,6-dichloro-5-cyclopentyl-2-(3-methylcyclopentyl)pyrimidine (PubChem CID 112569446) has the molecular formula C15H20Cl2N2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 4,6-dichloro-5-cyclopentyl-2-(3-methylcyclopentyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-cyclopentyl-2-(3-methylcyclopentyl)pyrimidine
PubChem CID112569446
Molecular FormulaC15H20Cl2N2
Molecular Weight299.25 g/mol
Exact Mass298.10
IUPAC Name4,6-dichloro-5-cyclopentyl-2-(3-methylcyclopentyl)pyrimidine
SMILESCC1CCC(c2nc(Cl)c(C3CCCC3)c(Cl)n2)C1
InChIInChI=1S/C15H20Cl2N2/c1-9-6-7-11(8-9)15-18-13(16)12(14(17)19-15)10-4-2-3-5-10/h9-11H,2-8H2,1H3
InChIKeyYVFLWWBFBNIKHV-UHFFFAOYSA-N
XLogP5.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.25
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-dichloro-5-cyclopentyl-2-(3-methylcyclopentyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-dichloro-2-cycloheptyl-5-cyclopentylpyrimidine
CID 115926469
4,6-dichloro-5-methyl-2-(3-methylcyclohexyl)pyrimidine
CID 63611976
4,6-dichloro-2,5-dicyclopropylpyrimidine
CID 118990185
4,6-dichloro-2-(3-methylcyclohexyl)-5-propylpyrimidine
CID 63611823
4,6-dichloro-2-(3-methylcyclopentyl)-5-phenylpyrimidine
CID 65430266
4,6-dichloro-5-(4-fluorophenyl)-2-(3-methylcyclopentyl)pyrimidine
CID 79431894
4,6-dichloro-5-cyclopentyl-2-(oxan-4-yl)pyrimidine
CID 112569454
4-chloro-5-iodo-2-(3-methylcyclopentyl)-6-propylpyrimidine
CID 66295009
4,6-dichloro-5-ethyl-2-(4-methylcyclohexyl)pyrimidine
CID 63612318
4,6-dichloro-2-(1-chloroethyl)-5-cyclopentylpyrimidine
CID 112569410
4-chloro-2-(3-methylcyclohexyl)-6-propylpyrimidine
CID 63405027
4,6-dichloro-2-cyclooctyl-5-propylpyrimidine
CID 80602250

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-cyclopentyl-2-(3-methylcyclopentyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-cyclopentyl-2-(3-methylcyclopentyl)pyrimidine (CID 112569446) is 4,6-dichloro-5-cyclopentyl-2-(3-methylcyclopentyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-cyclopentyl-2-(3-methylcyclopentyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-cyclopentyl-2-(3-methylcyclopentyl)pyrimidine is CC1CCC(c2nc(Cl)c(C3CCCC3)c(Cl)n2)C1.
What is the InChIKey of 4,6-dichloro-5-cyclopentyl-2-(3-methylcyclopentyl)pyrimidine?
The InChIKey is YVFLWWBFBNIKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2/c1-9-6-7-11(8-9)15-18-13(16)12(14(17)19-15)10-4-2-3-5-10/h9-11H,2-8H2,1H3.
What are the key properties of 4,6-dichloro-5-cyclopentyl-2-(3-methylcyclopentyl)pyrimidine?
4,6-dichloro-5-cyclopentyl-2-(3-methylcyclopentyl)pyrimidine has a molecular weight of 299.25 g/mol, XLogP of 5.34, 2 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-(3-methylcyclopentyl)pyrimidine is sourced from PubChem (CID 112569446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).