[2-(4-chlorophenyl)-4-(2-methylpropyl)-6-propan-2-yloxypyrimidin-5-yl] methyl carbonate

C19H23ClN2O4 — CID 68876038

IUPAC[2-(4-chlorophenyl)-4-(2-methylpropyl)-6-propan-2-yloxypyrimidin-5-yl] methyl carbonate
SMILESCOC(=O)Oc1c(CC(C)C)nc(-c2ccc(Cl)cc2)nc1OC(C)C
InChIInChI=1S/C19H23ClN2O4/c1-11(2)10-15-16(26-19(23)24-5)18(25-12(3)4)22-17(21-15)13-6-8-14(20)9-7-13/h6-9,11-12H,10H2,1-5H3
InChIKeyHGWZAMSJHZDOCA-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.93
Rot. Bonds6

About [2-(4-chlorophenyl)-4-(2-methylpropyl)-6-propan-2-yloxypyrimidin-5-yl] methyl carbonate

[2-(4-chlorophenyl)-4-(2-methylpropyl)-6-propan-2-yloxypyrimidin-5-yl] methyl carbonate (PubChem CID 68876038) has the molecular formula C19H23ClN2O4 and a molecular weight of 378.86 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-4-(2-methylpropyl)-6-propan-2-yloxypyrimidin-5-yl] methyl carbonate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-4-(2-methylpropyl)-6-propan-2-yloxypyrimidin-5-yl] methyl carbonate
PubChem CID68876038
Molecular FormulaC19H23ClN2O4
Molecular Weight378.86 g/mol
Exact Mass378.13
IUPAC Name[2-(4-chlorophenyl)-4-(2-methylpropyl)-6-propan-2-yloxypyrimidin-5-yl] methyl carbonate
SMILESCOC(=O)Oc1c(CC(C)C)nc(-c2ccc(Cl)cc2)nc1OC(C)C
InChIInChI=1S/C19H23ClN2O4/c1-11(2)10-15-16(26-19(23)24-5)18(25-12(3)4)22-17(21-15)13-6-8-14(20)9-7-13/h6-9,11-12H,10H2,1-5H3
InChIKeyHGWZAMSJHZDOCA-UHFFFAOYSA-N
XLogP4.93
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(4-chlorophenyl)-4-(2-methylpropyl)-6-propan-2-yloxypyrimidin-5-yl] methyl 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-(2-methylpropyl)-6-propan-2-yloxypyrimidin-5-yl] methyl carbonate?
The IUPAC name of [2-(4-chlorophenyl)-4-(2-methylpropyl)-6-propan-2-yloxypyrimidin-5-yl] methyl carbonate (CID 68876038) is [2-(4-chlorophenyl)-4-(2-methylpropyl)-6-propan-2-yloxypyrimidin-5-yl] methyl carbonate.
What is the SMILES notation for [2-(4-chlorophenyl)-4-(2-methylpropyl)-6-propan-2-yloxypyrimidin-5-yl] methyl carbonate?
The canonical SMILES for [2-(4-chlorophenyl)-4-(2-methylpropyl)-6-propan-2-yloxypyrimidin-5-yl] methyl carbonate is COC(=O)Oc1c(CC(C)C)nc(-c2ccc(Cl)cc2)nc1OC(C)C.
What is the InChIKey of [2-(4-chlorophenyl)-4-(2-methylpropyl)-6-propan-2-yloxypyrimidin-5-yl] methyl carbonate?
The InChIKey is HGWZAMSJHZDOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4/c1-11(2)10-15-16(26-19(23)24-5)18(25-12(3)4)22-17(21-15)13-6-8-14(20)9-7-13/h6-9,11-12H,10H2,1-5H3.
What are the key properties of [2-(4-chlorophenyl)-4-(2-methylpropyl)-6-propan-2-yloxypyrimidin-5-yl] methyl carbonate?
[2-(4-chlorophenyl)-4-(2-methylpropyl)-6-propan-2-yloxypyrimidin-5-yl] methyl carbonate has a molecular weight of 378.86 g/mol, XLogP of 4.93, 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-(2-methylpropyl)-6-propan-2-yloxypyrimidin-5-yl] methyl carbonate is sourced from PubChem (CID 68876038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).