[2-(4-chlorophenyl)-4-(cyclopentylmethoxy)-6-methylpyrimidin-5-yl] ethyl carbonate

C20H23ClN2O4 — CID 68875100

IUPAC[2-(4-chlorophenyl)-4-(cyclopentylmethoxy)-6-methylpyrimidin-5-yl] ethyl carbonate
SMILESCCOC(=O)Oc1c(C)nc(-c2ccc(Cl)cc2)nc1OCC1CCCC1
InChIInChI=1S/C20H23ClN2O4/c1-3-25-20(24)27-17-13(2)22-18(15-8-10-16(21)11-9-15)23-19(17)26-12-14-6-4-5-7-14/h8-11,14H,3-7,12H2,1-2H3
InChIKeyWUPGLXDSHKQJGA-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.21
Rot. Bonds6

About [2-(4-chlorophenyl)-4-(cyclopentylmethoxy)-6-methylpyrimidin-5-yl] ethyl carbonate

[2-(4-chlorophenyl)-4-(cyclopentylmethoxy)-6-methylpyrimidin-5-yl] ethyl carbonate (PubChem CID 68875100) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-4-(cyclopentylmethoxy)-6-methylpyrimidin-5-yl] ethyl carbonate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-4-(cyclopentylmethoxy)-6-methylpyrimidin-5-yl] ethyl carbonate
PubChem CID68875100
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name[2-(4-chlorophenyl)-4-(cyclopentylmethoxy)-6-methylpyrimidin-5-yl] ethyl carbonate
SMILESCCOC(=O)Oc1c(C)nc(-c2ccc(Cl)cc2)nc1OCC1CCCC1
InChIInChI=1S/C20H23ClN2O4/c1-3-25-20(24)27-17-13(2)22-18(15-8-10-16(21)11-9-15)23-19(17)26-12-14-6-4-5-7-14/h8-11,14H,3-7,12H2,1-2H3
InChIKeyWUPGLXDSHKQJGA-UHFFFAOYSA-N
XLogP5.21
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(4-chlorophenyl)-4-(cyclopentylmethoxy)-6-methylpyrimidin-5-yl] ethyl carbonate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-4-(cyclopentylmethoxy)-6-methylpyrimidin-5-yl] ethyl carbonate?
The IUPAC name of [2-(4-chlorophenyl)-4-(cyclopentylmethoxy)-6-methylpyrimidin-5-yl] ethyl carbonate (CID 68875100) is [2-(4-chlorophenyl)-4-(cyclopentylmethoxy)-6-methylpyrimidin-5-yl] ethyl carbonate.
What is the SMILES notation for [2-(4-chlorophenyl)-4-(cyclopentylmethoxy)-6-methylpyrimidin-5-yl] ethyl carbonate?
The canonical SMILES for [2-(4-chlorophenyl)-4-(cyclopentylmethoxy)-6-methylpyrimidin-5-yl] ethyl carbonate is CCOC(=O)Oc1c(C)nc(-c2ccc(Cl)cc2)nc1OCC1CCCC1.
What is the InChIKey of [2-(4-chlorophenyl)-4-(cyclopentylmethoxy)-6-methylpyrimidin-5-yl] ethyl carbonate?
The InChIKey is WUPGLXDSHKQJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-3-25-20(24)27-17-13(2)22-18(15-8-10-16(21)11-9-15)23-19(17)26-12-14-6-4-5-7-14/h8-11,14H,3-7,12H2,1-2H3.
What are the key properties of [2-(4-chlorophenyl)-4-(cyclopentylmethoxy)-6-methylpyrimidin-5-yl] ethyl carbonate?
[2-(4-chlorophenyl)-4-(cyclopentylmethoxy)-6-methylpyrimidin-5-yl] ethyl carbonate has a molecular weight of 390.87 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-4-(cyclopentylmethoxy)-6-methylpyrimidin-5-yl] ethyl carbonate is sourced from PubChem (CID 68875100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).