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

C16H18N4O3 — CID 142550456

IUPAC2-amino-5-(4-ethoxy-3-methylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCOc1ccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1C
InChIInChI=1S/C16H18N4O3/c1-3-23-11-5-4-9(6-8(11)2)10-7-12(21)18-14-13(10)15(22)20-16(17)19-14/h4-6,10H,3,7H2,1-2H3,(H4,17,18,19,20,21,22)
InChIKeyNKZXLNSGQGWXGJ-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.53
Rot. Bonds3

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

2-amino-5-(4-ethoxy-3-methylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 142550456) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-amino-5-(4-ethoxy-3-methylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-amino-5-(4-ethoxy-3-methylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID142550456
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name2-amino-5-(4-ethoxy-3-methylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCOc1ccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1C
InChIInChI=1S/C16H18N4O3/c1-3-23-11-5-4-9(6-8(11)2)10-7-12(21)18-14-13(10)15(22)20-16(17)19-14/h4-6,10H,3,7H2,1-2H3,(H4,17,18,19,20,21,22)
InChIKeyNKZXLNSGQGWXGJ-UHFFFAOYSA-N
XLogP1.53
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-ethoxy-3-methylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-amino-5-(4-ethoxy-3-methylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 142550456) is 2-amino-5-(4-ethoxy-3-methylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-amino-5-(4-ethoxy-3-methylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-amino-5-(4-ethoxy-3-methylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is CCOc1ccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1C.
What is the InChIKey of 2-amino-5-(4-ethoxy-3-methylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is NKZXLNSGQGWXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-3-23-11-5-4-9(6-8(11)2)10-7-12(21)18-14-13(10)15(22)20-16(17)19-14/h4-6,10H,3,7H2,1-2H3,(H4,17,18,19,20,21,22).
What are the key properties of 2-amino-5-(4-ethoxy-3-methylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
2-amino-5-(4-ethoxy-3-methylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 314.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-ethoxy-3-methylphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 142550456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).