cyclopentyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C17H19ClN2O3 — CID 2848275

IUPACcyclopentyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OC2CCCC2)C(c2ccc(Cl)cc2)NC(=O)N1
InChIInChI=1S/C17H19ClN2O3/c1-10-14(16(21)23-13-4-2-3-5-13)15(20-17(22)19-10)11-6-8-12(18)9-7-11/h6-9,13,15H,2-5H2,1H3,(H2,19,20,22)
InChIKeyJCOJPFHEPATSQD-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.45
Rot. Bonds3

About cyclopentyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

cyclopentyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 2848275) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is cyclopentyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namecyclopentyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID2848275
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Namecyclopentyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OC2CCCC2)C(c2ccc(Cl)cc2)NC(=O)N1
InChIInChI=1S/C17H19ClN2O3/c1-10-14(16(21)23-13-4-2-3-5-13)15(20-17(22)19-10)11-6-8-12(18)9-7-11/h6-9,13,15H,2-5H2,1H3,(H2,19,20,22)
InChIKeyJCOJPFHEPATSQD-UHFFFAOYSA-N
XLogP3.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of cyclopentyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 2848275) is cyclopentyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for cyclopentyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for cyclopentyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CC1=C(C(=O)OC2CCCC2)C(c2ccc(Cl)cc2)NC(=O)N1.
What is the InChIKey of cyclopentyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is JCOJPFHEPATSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-10-14(16(21)23-13-4-2-3-5-13)15(20-17(22)19-10)11-6-8-12(18)9-7-11/h6-9,13,15H,2-5H2,1H3,(H2,19,20,22).
What are the key properties of cyclopentyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
cyclopentyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 334.80 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 2848275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).