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

C17H20N2O4 — CID 2855167

IUPACcyclopentyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OC2CCCC2)C(c2ccc(O)cc2)NC(=O)N1
InChIInChI=1S/C17H20N2O4/c1-10-14(16(21)23-13-4-2-3-5-13)15(19-17(22)18-10)11-6-8-12(20)9-7-11/h6-9,13,15,20H,2-5H2,1H3,(H2,18,19,22)
InChIKeyIMGTZKPNKOKFKD-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.51
Rot. Bonds3

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

cyclopentyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 2855167) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is cyclopentyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namecyclopentyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID2855167
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Namecyclopentyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OC2CCCC2)C(c2ccc(O)cc2)NC(=O)N1
InChIInChI=1S/C17H20N2O4/c1-10-14(16(21)23-13-4-2-3-5-13)15(19-17(22)18-10)11-6-8-12(20)9-7-11/h6-9,13,15,20H,2-5H2,1H3,(H2,18,19,22)
InChIKeyIMGTZKPNKOKFKD-UHFFFAOYSA-N
XLogP2.51
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of cyclopentyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 2855167) is cyclopentyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for cyclopentyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for cyclopentyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CC1=C(C(=O)OC2CCCC2)C(c2ccc(O)cc2)NC(=O)N1.
What is the InChIKey of cyclopentyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is IMGTZKPNKOKFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-10-14(16(21)23-13-4-2-3-5-13)15(19-17(22)18-10)11-6-8-12(20)9-7-11/h6-9,13,15,20H,2-5H2,1H3,(H2,18,19,22).
What are the key properties of cyclopentyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
cyclopentyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 2855167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).