(6R)-5-acetyl-3-ethyl-6-(furan-2-yl)-4-methyl-1,6-dihydropyrimidin-2-one

C13H16N2O3 — CID 16759650

IUPAC(6R)-5-acetyl-3-ethyl-6-(furan-2-yl)-4-methyl-1,6-dihydropyrimidin-2-one
SMILESCCN1C(=O)N[C@@H](c2ccco2)C(C(C)=O)=C1C
InChIInChI=1S/C13H16N2O3/c1-4-15-8(2)11(9(3)16)12(14-13(15)17)10-6-5-7-18-10/h5-7,12H,4H2,1-3H3,(H,14,17)/t12-/m0/s1
InChIKeyQRTHXPXYLROHJW-LBPRGKRZSA-N
MW248.28 g/mol
LogP2.23
Rot. Bonds3

About (6R)-5-acetyl-3-ethyl-6-(furan-2-yl)-4-methyl-1,6-dihydropyrimidin-2-one

(6R)-5-acetyl-3-ethyl-6-(furan-2-yl)-4-methyl-1,6-dihydropyrimidin-2-one (PubChem CID 16759650) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (6R)-5-acetyl-3-ethyl-6-(furan-2-yl)-4-methyl-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name(6R)-5-acetyl-3-ethyl-6-(furan-2-yl)-4-methyl-1,6-dihydropyrimidin-2-one
PubChem CID16759650
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(6R)-5-acetyl-3-ethyl-6-(furan-2-yl)-4-methyl-1,6-dihydropyrimidin-2-one
SMILESCCN1C(=O)N[C@@H](c2ccco2)C(C(C)=O)=C1C
InChIInChI=1S/C13H16N2O3/c1-4-15-8(2)11(9(3)16)12(14-13(15)17)10-6-5-7-18-10/h5-7,12H,4H2,1-3H3,(H,14,17)/t12-/m0/s1
InChIKeyQRTHXPXYLROHJW-LBPRGKRZSA-N
XLogP2.23
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetyl-3-ethyl-4-methyl-6-phenyl-1,6-dihydropyrimidin-2-one
CID 11737016
(6R)-5-acetyl-4-methyl-6-phenyl-3-propyl-1,6-dihydropyrimidin-2-one
CID 8009207
benzyl 6-(furan-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 162677330
ethyl 3-ethyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 6613464
propyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 15524546
1-ethyl-2-(furan-2-yl)imidazolidin-4-one
CID 130626514
(6S)-5-acetyl-3-benzyl-6-(2-chlorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one
CID 6990709
ethyl 5-acetyl-4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
CID 102176360
(4S)-5-acetyl-4-(furan-2-yl)-6-methyl-3,4-dihydropyran-2-one
CID 132597033
propyl (4R)-4-(furan-2-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7052989
(3,4-dimethoxyphenyl)methyl 6-(furan-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 71653056
pentyl (4S)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7053020

Frequently Asked Questions

What is the IUPAC name of (6R)-5-acetyl-3-ethyl-6-(furan-2-yl)-4-methyl-1,6-dihydropyrimidin-2-one?
The IUPAC name of (6R)-5-acetyl-3-ethyl-6-(furan-2-yl)-4-methyl-1,6-dihydropyrimidin-2-one (CID 16759650) is (6R)-5-acetyl-3-ethyl-6-(furan-2-yl)-4-methyl-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for (6R)-5-acetyl-3-ethyl-6-(furan-2-yl)-4-methyl-1,6-dihydropyrimidin-2-one?
The canonical SMILES for (6R)-5-acetyl-3-ethyl-6-(furan-2-yl)-4-methyl-1,6-dihydropyrimidin-2-one is CCN1C(=O)N[C@@H](c2ccco2)C(C(C)=O)=C1C.
What is the InChIKey of (6R)-5-acetyl-3-ethyl-6-(furan-2-yl)-4-methyl-1,6-dihydropyrimidin-2-one?
The InChIKey is QRTHXPXYLROHJW-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-4-15-8(2)11(9(3)16)12(14-13(15)17)10-6-5-7-18-10/h5-7,12H,4H2,1-3H3,(H,14,17)/t12-/m0/s1.
What are the key properties of (6R)-5-acetyl-3-ethyl-6-(furan-2-yl)-4-methyl-1,6-dihydropyrimidin-2-one?
(6R)-5-acetyl-3-ethyl-6-(furan-2-yl)-4-methyl-1,6-dihydropyrimidin-2-one has a molecular weight of 248.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5-acetyl-3-ethyl-6-(furan-2-yl)-4-methyl-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 16759650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).