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

C15H16N4O3 — CID 142550463

IUPAC2-amino-5-(3-ethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCOc1cccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1
InChIInChI=1S/C15H16N4O3/c1-2-22-9-5-3-4-8(6-9)10-7-11(20)17-13-12(10)14(21)19-15(16)18-13/h3-6,10H,2,7H2,1H3,(H4,16,17,18,19,20,21)
InChIKeyTWKAVZWBDFFCEU-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.22
Rot. Bonds3

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

2-amino-5-(3-ethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 142550463) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-amino-5-(3-ethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-amino-5-(3-ethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID142550463
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name2-amino-5-(3-ethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCOc1cccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1
InChIInChI=1S/C15H16N4O3/c1-2-22-9-5-3-4-8(6-9)10-7-11(20)17-13-12(10)14(21)19-15(16)18-13/h3-6,10H,2,7H2,1H3,(H4,16,17,18,19,20,21)
InChIKeyTWKAVZWBDFFCEU-UHFFFAOYSA-N
XLogP1.22
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-ethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-amino-5-(3-ethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 142550463) is 2-amino-5-(3-ethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-amino-5-(3-ethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-amino-5-(3-ethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is CCOc1cccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1.
What is the InChIKey of 2-amino-5-(3-ethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is TWKAVZWBDFFCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-2-22-9-5-3-4-8(6-9)10-7-11(20)17-13-12(10)14(21)19-15(16)18-13/h3-6,10H,2,7H2,1H3,(H4,16,17,18,19,20,21).
What are the key properties of 2-amino-5-(3-ethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
2-amino-5-(3-ethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 300.32 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-ethoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 142550463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).