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

C16H18N4O4 — CID 138505639

IUPAC2-amino-5-(3-ethoxy-4-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCOc1cc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)ccc1OC
InChIInChI=1S/C16H18N4O4/c1-3-24-11-6-8(4-5-10(11)23-2)9-7-12(21)18-14-13(9)15(22)20-16(17)19-14/h4-6,9H,3,7H2,1-2H3,(H4,17,18,19,20,21,22)
InChIKeyJRYSDOLEKKWHOC-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.23
Rot. Bonds4

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

2-amino-5-(3-ethoxy-4-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 138505639) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-amino-5-(3-ethoxy-4-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-amino-5-(3-ethoxy-4-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID138505639
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name2-amino-5-(3-ethoxy-4-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCCOc1cc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)ccc1OC
InChIInChI=1S/C16H18N4O4/c1-3-24-11-6-8(4-5-10(11)23-2)9-7-12(21)18-14-13(9)15(22)20-16(17)19-14/h4-6,9H,3,7H2,1-2H3,(H4,17,18,19,20,21,22)
InChIKeyJRYSDOLEKKWHOC-UHFFFAOYSA-N
XLogP1.23
TPSA119.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.23
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-ethoxy-4-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-amino-5-(3-ethoxy-4-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 138505639) is 2-amino-5-(3-ethoxy-4-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-amino-5-(3-ethoxy-4-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-amino-5-(3-ethoxy-4-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is CCOc1cc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)ccc1OC.
What is the InChIKey of 2-amino-5-(3-ethoxy-4-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is JRYSDOLEKKWHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-3-24-11-6-8(4-5-10(11)23-2)9-7-12(21)18-14-13(9)15(22)20-16(17)19-14/h4-6,9H,3,7H2,1-2H3,(H4,17,18,19,20,21,22).
What are the key properties of 2-amino-5-(3-ethoxy-4-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
2-amino-5-(3-ethoxy-4-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 330.34 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-ethoxy-4-methoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 138505639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).