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

C17H20N4O4 — CID 138505646

IUPAC2-amino-5-(3,4-diethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCOc1ccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1OCC
InChIInChI=1S/C17H20N4O4/c1-3-24-11-6-5-9(7-12(11)25-4-2)10-8-13(22)19-15-14(10)16(23)21-17(18)20-15/h5-7,10H,3-4,8H2,1-2H3,(H4,18,19,20,21,22,23)
InChIKeyOTRHDVONJDJOQA-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.62
Rot. Bonds5

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

2-amino-5-(3,4-diethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 138505646) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-amino-5-(3,4-diethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-amino-5-(3,4-diethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID138505646
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name2-amino-5-(3,4-diethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCOc1ccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1OCC
InChIInChI=1S/C17H20N4O4/c1-3-24-11-6-5-9(7-12(11)25-4-2)10-8-13(22)19-15-14(10)16(23)21-17(18)20-15/h5-7,10H,3-4,8H2,1-2H3,(H4,18,19,20,21,22,23)
InChIKeyOTRHDVONJDJOQA-UHFFFAOYSA-N
XLogP1.62
TPSA119.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3,4-diethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-amino-5-(3,4-diethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 138505646) is 2-amino-5-(3,4-diethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-amino-5-(3,4-diethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-amino-5-(3,4-diethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is CCOc1ccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1OCC.
What is the InChIKey of 2-amino-5-(3,4-diethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is OTRHDVONJDJOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-3-24-11-6-5-9(7-12(11)25-4-2)10-8-13(22)19-15-14(10)16(23)21-17(18)20-15/h5-7,10H,3-4,8H2,1-2H3,(H4,18,19,20,21,22,23).
What are the key properties of 2-amino-5-(3,4-diethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
2-amino-5-(3,4-diethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 344.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3,4-diethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 138505646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).