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

C18H22N2O4 — CID 2855382

IUPACcyclohexyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OC2CCCCC2)C(c2ccc(O)cc2)NC(=O)N1
InChIInChI=1S/C18H22N2O4/c1-11-15(17(22)24-14-5-3-2-4-6-14)16(20-18(23)19-11)12-7-9-13(21)10-8-12/h7-10,14,16,21H,2-6H2,1H3,(H2,19,20,23)
InChIKeyPDHJHPLWVPZBOF-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.90
Rot. Bonds3

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

cyclohexyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 2855382) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is cyclohexyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namecyclohexyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID2855382
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Namecyclohexyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OC2CCCCC2)C(c2ccc(O)cc2)NC(=O)N1
InChIInChI=1S/C18H22N2O4/c1-11-15(17(22)24-14-5-3-2-4-6-14)16(20-18(23)19-11)12-7-9-13(21)10-8-12/h7-10,14,16,21H,2-6H2,1H3,(H2,19,20,23)
InChIKeyPDHJHPLWVPZBOF-UHFFFAOYSA-N
XLogP2.90
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of cyclohexyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 2855382) is cyclohexyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for cyclohexyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for cyclohexyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CC1=C(C(=O)OC2CCCCC2)C(c2ccc(O)cc2)NC(=O)N1.
What is the InChIKey of cyclohexyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is PDHJHPLWVPZBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-11-15(17(22)24-14-5-3-2-4-6-14)16(20-18(23)19-11)12-7-9-13(21)10-8-12/h7-10,14,16,21H,2-6H2,1H3,(H2,19,20,23).
What are the key properties of cyclohexyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
cyclohexyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 2855382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).