(5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione

C17H19N3O6 — CID 7353010

IUPAC(5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCOc1cc([C@@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1O
InChIInChI=1S/C17H19N3O6/c1-19-15-13(16(23)20(2)17(19)24)9(7-12(21)18-15)8-5-10(25-3)14(22)11(6-8)26-4/h5-6,9,22H,7H2,1-4H3,(H,18,21)/t9-/m0/s1
InChIKeySKYXKHHLWDTWNU-VIFPVBQESA-N
MW361.35 g/mol
LogP0.28
Rot. Bonds3

About (5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione

(5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 7353010) has the molecular formula C17H19N3O6 and a molecular weight of 361.35 g/mol. Its IUPAC name is (5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name(5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID7353010
Molecular FormulaC17H19N3O6
Molecular Weight361.35 g/mol
Exact Mass361.13
IUPAC Name(5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCOc1cc([C@@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1O
InChIInChI=1S/C17H19N3O6/c1-19-15-13(16(23)20(2)17(19)24)9(7-12(21)18-15)8-5-10(25-3)14(22)11(6-8)26-4/h5-6,9,22H,7H2,1-4H3,(H,18,21)/t9-/m0/s1
InChIKeySKYXKHHLWDTWNU-VIFPVBQESA-N
XLogP0.28
TPSA111.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of (5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 7353010) is (5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for (5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for (5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is COc1cc([C@@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1O.
What is the InChIKey of (5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is SKYXKHHLWDTWNU-VIFPVBQESA-N. The full InChI is InChI=1S/C17H19N3O6/c1-19-15-13(16(23)20(2)17(19)24)9(7-12(21)18-15)8-5-10(25-3)14(22)11(6-8)26-4/h5-6,9,22H,7H2,1-4H3,(H,18,21)/t9-/m0/s1.
What are the key properties of (5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
(5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 361.35 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 7353010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).