(6R)-5-acetyl-4-methyl-6-phenyl-3-propyl-1,6-dihydropyrimidin-2-one

C16H20N2O2 — CID 8009207

IUPAC(6R)-5-acetyl-4-methyl-6-phenyl-3-propyl-1,6-dihydropyrimidin-2-one
SMILESCCCN1C(=O)N[C@H](c2ccccc2)C(C(C)=O)=C1C
InChIInChI=1S/C16H20N2O2/c1-4-10-18-11(2)14(12(3)19)15(17-16(18)20)13-8-6-5-7-9-13/h5-9,15H,4,10H2,1-3H3,(H,17,20)/t15-/m1/s1
InChIKeyQQPCMWYMJGHQCQ-OAHLLOKOSA-N
MW272.35 g/mol
LogP3.03
Rot. Bonds4

About (6R)-5-acetyl-4-methyl-6-phenyl-3-propyl-1,6-dihydropyrimidin-2-one

(6R)-5-acetyl-4-methyl-6-phenyl-3-propyl-1,6-dihydropyrimidin-2-one (PubChem CID 8009207) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (6R)-5-acetyl-4-methyl-6-phenyl-3-propyl-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name(6R)-5-acetyl-4-methyl-6-phenyl-3-propyl-1,6-dihydropyrimidin-2-one
PubChem CID8009207
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(6R)-5-acetyl-4-methyl-6-phenyl-3-propyl-1,6-dihydropyrimidin-2-one
SMILESCCCN1C(=O)N[C@H](c2ccccc2)C(C(C)=O)=C1C
InChIInChI=1S/C16H20N2O2/c1-4-10-18-11(2)14(12(3)19)15(17-16(18)20)13-8-6-5-7-9-13/h5-9,15H,4,10H2,1-3H3,(H,17,20)/t15-/m1/s1
InChIKeyQQPCMWYMJGHQCQ-OAHLLOKOSA-N
XLogP3.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one
CID 11737016
ethyl (6S)-3-butyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 92970738
ethyl 3-ethyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 6613464
methyl 4-methyl-6-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 4224866
5-acetyl-6-ethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 20707073
propan-2-yl 3-(4-bromobutyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 141398313
ethyl (6S)-3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 721516
2-methylpropyl 6-[4-[(2,2-diphenylacetyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 5037147
(6S)-5-acetyl-3-benzyl-6-(2-chlorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one
CID 6990709
methyl (6R)-6-[4-[(2-bromophenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 93098772
3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxamide
CID 12924230
(6R)-5-acetyl-3-ethyl-6-(furan-2-yl)-4-methyl-1,6-dihydropyrimidin-2-one
CID 16759650

Frequently Asked Questions

What is the IUPAC name of (6R)-5-acetyl-4-methyl-6-phenyl-3-propyl-1,6-dihydropyrimidin-2-one?
The IUPAC name of (6R)-5-acetyl-4-methyl-6-phenyl-3-propyl-1,6-dihydropyrimidin-2-one (CID 8009207) is (6R)-5-acetyl-4-methyl-6-phenyl-3-propyl-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for (6R)-5-acetyl-4-methyl-6-phenyl-3-propyl-1,6-dihydropyrimidin-2-one?
The canonical SMILES for (6R)-5-acetyl-4-methyl-6-phenyl-3-propyl-1,6-dihydropyrimidin-2-one is CCCN1C(=O)N[C@H](c2ccccc2)C(C(C)=O)=C1C.
What is the InChIKey of (6R)-5-acetyl-4-methyl-6-phenyl-3-propyl-1,6-dihydropyrimidin-2-one?
The InChIKey is QQPCMWYMJGHQCQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-10-18-11(2)14(12(3)19)15(17-16(18)20)13-8-6-5-7-9-13/h5-9,15H,4,10H2,1-3H3,(H,17,20)/t15-/m1/s1.
What are the key properties of (6R)-5-acetyl-4-methyl-6-phenyl-3-propyl-1,6-dihydropyrimidin-2-one?
(6R)-5-acetyl-4-methyl-6-phenyl-3-propyl-1,6-dihydropyrimidin-2-one has a molecular weight of 272.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5-acetyl-4-methyl-6-phenyl-3-propyl-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 8009207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).