cyclohexyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

C18H22N2O3 — CID 2836907

IUPACcyclohexyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OC2CCCCC2)C(c2ccccc2)NC(=O)N1
InChIInChI=1S/C18H22N2O3/c1-12-15(17(21)23-14-10-6-3-7-11-14)16(20-18(22)19-12)13-8-4-2-5-9-13/h2,4-5,8-9,14,16H,3,6-7,10-11H2,1H3,(H2,19,20,22)
InChIKeyLWTNHAJSRLJEEE-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.19
Rot. Bonds3

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

cyclohexyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 2836907) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is cyclohexyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namecyclohexyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID2836907
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Namecyclohexyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OC2CCCCC2)C(c2ccccc2)NC(=O)N1
InChIInChI=1S/C18H22N2O3/c1-12-15(17(21)23-14-10-6-3-7-11-14)16(20-18(22)19-12)13-8-4-2-5-9-13/h2,4-5,8-9,14,16H,3,6-7,10-11H2,1H3,(H2,19,20,22)
InChIKeyLWTNHAJSRLJEEE-UHFFFAOYSA-N
XLogP3.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of cyclohexyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 2836907) is cyclohexyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for cyclohexyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for cyclohexyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is CC1=C(C(=O)OC2CCCCC2)C(c2ccccc2)NC(=O)N1.
What is the InChIKey of cyclohexyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is LWTNHAJSRLJEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-15(17(21)23-14-10-6-3-7-11-14)16(20-18(22)19-12)13-8-4-2-5-9-13/h2,4-5,8-9,14,16H,3,6-7,10-11H2,1H3,(H2,19,20,22).
What are the key properties of cyclohexyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
cyclohexyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 314.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 2836907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).