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

C18H21N3O6 — CID 5303253

IUPAC1,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCOc1cc(C2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC
InChIInChI=1S/C18H21N3O6/c1-20-16-14(17(23)21(2)18(20)24)10(8-13(22)19-16)9-6-11(25-3)15(27-5)12(7-9)26-4/h6-7,10H,8H2,1-5H3,(H,19,22)
InChIKeyPTZNYFANTHLYMJ-UHFFFAOYSA-N
MW375.38 g/mol
LogP0.58
Rot. Bonds4

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

1,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 5303253) has the molecular formula C18H21N3O6 and a molecular weight of 375.38 g/mol. Its IUPAC name is 1,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID5303253
Molecular FormulaC18H21N3O6
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name1,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCOc1cc(C2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC
InChIInChI=1S/C18H21N3O6/c1-20-16-14(17(23)21(2)18(20)24)10(8-13(22)19-16)9-6-11(25-3)15(27-5)12(7-9)26-4/h6-7,10H,8H2,1-5H3,(H,19,22)
InChIKeyPTZNYFANTHLYMJ-UHFFFAOYSA-N
XLogP0.58
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 1,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 5303253) is 1,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 1,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 1,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is COc1cc(C2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC.
What is the InChIKey of 1,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is PTZNYFANTHLYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6/c1-20-16-14(17(23)21(2)18(20)24)10(8-13(22)19-16)9-6-11(25-3)15(27-5)12(7-9)26-4/h6-7,10H,8H2,1-5H3,(H,19,22).
What are the key properties of 1,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
1,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 375.38 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(3,4,5-trimethoxyphenyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 5303253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).