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

C19H24N2O3 — CID 3090718

IUPAC(3-methylcyclohexyl) 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OC2CCCC(C)C2)C(c2ccccc2)NC(=O)N1
InChIInChI=1S/C19H24N2O3/c1-12-7-6-10-15(11-12)24-18(22)16-13(2)20-19(23)21-17(16)14-8-4-3-5-9-14/h3-5,8-9,12,15,17H,6-7,10-11H2,1-2H3,(H2,20,21,23)
InChIKeyAGQLELOQKYYAPY-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.44
Rot. Bonds3

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

(3-methylcyclohexyl) 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 3090718) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (3-methylcyclohexyl) 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Name(3-methylcyclohexyl) 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID3090718
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(3-methylcyclohexyl) 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OC2CCCC(C)C2)C(c2ccccc2)NC(=O)N1
InChIInChI=1S/C19H24N2O3/c1-12-7-6-10-15(11-12)24-18(22)16-13(2)20-19(23)21-17(16)14-8-4-3-5-9-14/h3-5,8-9,12,15,17H,6-7,10-11H2,1-2H3,(H2,20,21,23)
InChIKeyAGQLELOQKYYAPY-UHFFFAOYSA-N
XLogP3.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl) 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of (3-methylcyclohexyl) 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 3090718) is (3-methylcyclohexyl) 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for (3-methylcyclohexyl) 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for (3-methylcyclohexyl) 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is CC1=C(C(=O)OC2CCCC(C)C2)C(c2ccccc2)NC(=O)N1.
What is the InChIKey of (3-methylcyclohexyl) 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is AGQLELOQKYYAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12-7-6-10-15(11-12)24-18(22)16-13(2)20-19(23)21-17(16)14-8-4-3-5-9-14/h3-5,8-9,12,15,17H,6-7,10-11H2,1-2H3,(H2,20,21,23).
What are the key properties of (3-methylcyclohexyl) 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
(3-methylcyclohexyl) 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl) 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 3090718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).