(5S)-6-acetyl-5-(4-chlorophenyl)-2,7-dimethyl-3,5-dihydropyrano[2,3-d]pyrimidin-4-one

C17H15ClN2O3 — CID 26415365

IUPAC(5S)-6-acetyl-5-(4-chlorophenyl)-2,7-dimethyl-3,5-dihydropyrano[2,3-d]pyrimidin-4-one
SMILESCC(=O)C1=C(C)Oc2nc(C)[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O3/c1-8(21)13-9(2)23-17-15(16(22)19-10(3)20-17)14(13)11-4-6-12(18)7-5-11/h4-7,14H,1-3H3,(H,19,20,22)/t14-/m0/s1
InChIKeyOLODVAMUQZNOAE-AWEZNQCLSA-N
MW330.77 g/mol
LogP3.12
Rot. Bonds2

About (5S)-6-acetyl-5-(4-chlorophenyl)-2,7-dimethyl-3,5-dihydropyrano[2,3-d]pyrimidin-4-one

(5S)-6-acetyl-5-(4-chlorophenyl)-2,7-dimethyl-3,5-dihydropyrano[2,3-d]pyrimidin-4-one (PubChem CID 26415365) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is (5S)-6-acetyl-5-(4-chlorophenyl)-2,7-dimethyl-3,5-dihydropyrano[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name(5S)-6-acetyl-5-(4-chlorophenyl)-2,7-dimethyl-3,5-dihydropyrano[2,3-d]pyrimidin-4-one
PubChem CID26415365
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name(5S)-6-acetyl-5-(4-chlorophenyl)-2,7-dimethyl-3,5-dihydropyrano[2,3-d]pyrimidin-4-one
SMILESCC(=O)C1=C(C)Oc2nc(C)[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O3/c1-8(21)13-9(2)23-17-15(16(22)19-10(3)20-17)14(13)11-4-6-12(18)7-5-11/h4-7,14H,1-3H3,(H,19,20,22)/t14-/m0/s1
InChIKeyOLODVAMUQZNOAE-AWEZNQCLSA-N
XLogP3.12
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S)-6-acetyl-5-(4-chlorophenyl)-2,7-dimethyl-3,5-dihydropyrano[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8S)-5-acetyl-8-(4-chlorophenyl)-6,12-dimethyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,6,12-tetraen-10-one
CID 26414832
5-acetyl-8-(4-chlorophenyl)-6,12-dimethyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,6,12-tetraen-10-one
CID 16765936
ethyl 5-(4-fluorophenyl)-2,7-dimethyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate
CID 139217355
(5R)-7-amino-5-(4-chlorophenyl)-2-methyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
CID 756119
(5S)-7-amino-5-(3,4-dichlorophenyl)-2-methyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
CID 742915
methyl 4-(8-acetyloxy-2-methyl-4-oxo-3,5-dihydrochromeno[2,3-d]pyrimidin-5-yl)benzoate
CID 16766049
1-[(13R)-4,11-dimethyl-13-phenyl-10-oxa-3,5,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaen-12-yl]ethanone
CID 7640801
15-methyl-11-phenyl-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12(17),15-hexaene-9,13-dione
CID 11840825
methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 930757
ethyl (5R)-5-(4-chlorophenyl)-2-ethylsulfanyl-7-methyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 136829616
(9S)-9-(2-chloro-6-fluorophenyl)-5-methyl-2,13,15-trioxa-4,6-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3(8),4,10,12(16)-pentaen-7-one
CID 95861282
ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-7-propyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 23475758

Frequently Asked Questions

What is the IUPAC name of (5S)-6-acetyl-5-(4-chlorophenyl)-2,7-dimethyl-3,5-dihydropyrano[2,3-d]pyrimidin-4-one?
The IUPAC name of (5S)-6-acetyl-5-(4-chlorophenyl)-2,7-dimethyl-3,5-dihydropyrano[2,3-d]pyrimidin-4-one (CID 26415365) is (5S)-6-acetyl-5-(4-chlorophenyl)-2,7-dimethyl-3,5-dihydropyrano[2,3-d]pyrimidin-4-one.
What is the SMILES notation for (5S)-6-acetyl-5-(4-chlorophenyl)-2,7-dimethyl-3,5-dihydropyrano[2,3-d]pyrimidin-4-one?
The canonical SMILES for (5S)-6-acetyl-5-(4-chlorophenyl)-2,7-dimethyl-3,5-dihydropyrano[2,3-d]pyrimidin-4-one is CC(=O)C1=C(C)Oc2nc(C)[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (5S)-6-acetyl-5-(4-chlorophenyl)-2,7-dimethyl-3,5-dihydropyrano[2,3-d]pyrimidin-4-one?
The InChIKey is OLODVAMUQZNOAE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-8(21)13-9(2)23-17-15(16(22)19-10(3)20-17)14(13)11-4-6-12(18)7-5-11/h4-7,14H,1-3H3,(H,19,20,22)/t14-/m0/s1.
What are the key properties of (5S)-6-acetyl-5-(4-chlorophenyl)-2,7-dimethyl-3,5-dihydropyrano[2,3-d]pyrimidin-4-one?
(5S)-6-acetyl-5-(4-chlorophenyl)-2,7-dimethyl-3,5-dihydropyrano[2,3-d]pyrimidin-4-one has a molecular weight of 330.77 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-acetyl-5-(4-chlorophenyl)-2,7-dimethyl-3,5-dihydropyrano[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 26415365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).