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

C15H16N4O5 — CID 135511601

IUPAC2-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCOc1cc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc(OC)c1O
InChIInChI=1S/C15H16N4O5/c1-23-8-3-6(4-9(24-2)12(8)21)7-5-10(20)17-13-11(7)14(22)19-15(16)18-13/h3-4,7,21H,5H2,1-2H3,(H4,16,17,18,19,20,22)
InChIKeyGOMPVGBIHCMKDG-UHFFFAOYSA-N
MW332.32 g/mol
LogP0.55
Rot. Bonds3

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

2-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135511601) has the molecular formula C15H16N4O5 and a molecular weight of 332.32 g/mol. Its IUPAC name is 2-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135511601
Molecular FormulaC15H16N4O5
Molecular Weight332.32 g/mol
Exact Mass332.11
IUPAC Name2-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCOc1cc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc(OC)c1O
InChIInChI=1S/C15H16N4O5/c1-23-8-3-6(4-9(24-2)12(8)21)7-5-10(20)17-13-11(7)14(22)19-15(16)18-13/h3-4,7,21H,5H2,1-2H3,(H4,16,17,18,19,20,22)
InChIKeyGOMPVGBIHCMKDG-UHFFFAOYSA-N
XLogP0.55
TPSA139.56 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135511601) is 2-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is COc1cc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc(OC)c1O.
What is the InChIKey of 2-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is GOMPVGBIHCMKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O5/c1-23-8-3-6(4-9(24-2)12(8)21)7-5-10(20)17-13-11(7)14(22)19-15(16)18-13/h3-4,7,21H,5H2,1-2H3,(H4,16,17,18,19,20,22).
What are the key properties of 2-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
2-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 332.32 g/mol, XLogP of 0.55, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135511601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).