7-amino-1-benzyl-3-ethyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione

C16H16N4O3 — CID 2363691

IUPAC7-amino-1-benzyl-3-ethyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione
SMILESCCn1c(=O)c2c(=O)cc(N)[nH]c2n(Cc2ccccc2)c1=O
InChIInChI=1S/C16H16N4O3/c1-2-19-15(22)13-11(21)8-12(17)18-14(13)20(16(19)23)9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H3,17,18,21)
InChIKeyCZPYMWWBKWCSGA-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.50
Rot. Bonds3

About 7-amino-1-benzyl-3-ethyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione

7-amino-1-benzyl-3-ethyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione (PubChem CID 2363691) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 7-amino-1-benzyl-3-ethyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione.

Molecular Properties

Compound Name7-amino-1-benzyl-3-ethyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione
PubChem CID2363691
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name7-amino-1-benzyl-3-ethyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione
SMILESCCn1c(=O)c2c(=O)cc(N)[nH]c2n(Cc2ccccc2)c1=O
InChIInChI=1S/C16H16N4O3/c1-2-19-15(22)13-11(21)8-12(17)18-14(13)20(16(19)23)9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H3,17,18,21)
InChIKeyCZPYMWWBKWCSGA-UHFFFAOYSA-N
XLogP0.50
TPSA102.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-1-benzyl-3-ethyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione?
The IUPAC name of 7-amino-1-benzyl-3-ethyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione (CID 2363691) is 7-amino-1-benzyl-3-ethyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione.
What is the SMILES notation for 7-amino-1-benzyl-3-ethyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione?
The canonical SMILES for 7-amino-1-benzyl-3-ethyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione is CCn1c(=O)c2c(=O)cc(N)[nH]c2n(Cc2ccccc2)c1=O.
What is the InChIKey of 7-amino-1-benzyl-3-ethyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione?
The InChIKey is CZPYMWWBKWCSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-2-19-15(22)13-11(21)8-12(17)18-14(13)20(16(19)23)9-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H3,17,18,21).
What are the key properties of 7-amino-1-benzyl-3-ethyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione?
7-amino-1-benzyl-3-ethyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione has a molecular weight of 312.33 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-benzyl-3-ethyl-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione is sourced from PubChem (CID 2363691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).