5-(3,4-dimethoxyphenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

C16H17N3O4 — CID 135651689

IUPAC5-(3,4-dimethoxyphenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCOc1ccc(C2CC(=O)Nc3nc(C)[nH]c(=O)c32)cc1OC
InChIInChI=1S/C16H17N3O4/c1-8-17-15-14(16(21)18-8)10(7-13(20)19-15)9-4-5-11(22-2)12(6-9)23-3/h4-6,10H,7H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyXUQVUJLAVJWSLA-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.57
Rot. Bonds3

About 5-(3,4-dimethoxyphenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

5-(3,4-dimethoxyphenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135651689) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135651689
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name5-(3,4-dimethoxyphenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCOc1ccc(C2CC(=O)Nc3nc(C)[nH]c(=O)c32)cc1OC
InChIInChI=1S/C16H17N3O4/c1-8-17-15-14(16(21)18-8)10(7-13(20)19-15)9-4-5-11(22-2)12(6-9)23-3/h4-6,10H,7H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyXUQVUJLAVJWSLA-UHFFFAOYSA-N
XLogP1.57
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(3,4-dimethoxyphenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione with MolForge

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Related Compounds

2-amino-5-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
CID 135511602
2-amino-5-(3-ethoxyphenyl)-3H,4H,5H,6H,7H,8H-pyrido(2,3-d)pyrimidine-4,7-dione
CID 142550463
5-(3,4-dimethoxyphenyl)-1,3,8,8-tetramethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
CID 4888956
5-(4-Ethoxy-3-methoxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-3H,4H,5H,6H,7H,8H-pyrido[2,3-D]pyrimidine-4,7-dione
CID 135546793
2-amino-5-(3-methoxyphenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
CID 135472147
2-Amino-5-(4-methoxy-3-propoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 138505634
2-Amino-5-(3-ethoxy-4-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 138505639
2-Amino-5-(3-methoxy-4-propoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 138505644
2-Amino-5-(3,4-diethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 138505646
2-Amino-5-(3-propoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 142550455
2-Amino-5-(4-ethoxy-3-methylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 142550456
2-Amino-5-(3-prop-2-enoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 142550460

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135651689) is 5-(3,4-dimethoxyphenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is COc1ccc(C2CC(=O)Nc3nc(C)[nH]c(=O)c32)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is XUQVUJLAVJWSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-8-17-15-14(16(21)18-8)10(7-13(20)19-15)9-4-5-11(22-2)12(6-9)23-3/h4-6,10H,7H2,1-3H3,(H2,17,18,19,20,21).
What are the key properties of 5-(3,4-dimethoxyphenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
5-(3,4-dimethoxyphenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 315.33 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-2-methyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135651689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).