7-butyl-8-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione

C14H17N3O3 — CID 46245137

IUPAC7-butyl-8-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione
SMILESC=CCn1c(CCCC)cc(=O)c2c(=O)[nH]c(=O)[nH]c21
InChIInChI=1S/C14H17N3O3/c1-3-5-6-9-8-10(18)11-12(17(9)7-4-2)15-14(20)16-13(11)19/h4,8H,2-3,5-7H2,1H3,(H2,15,16,19,20)
InChIKeyNPFKWURLBUBKIP-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.91
Rot. Bonds5

About 7-butyl-8-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione

7-butyl-8-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione (PubChem CID 46245137) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 7-butyl-8-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione.

Molecular Properties

Compound Name7-butyl-8-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione
PubChem CID46245137
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name7-butyl-8-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione
SMILESC=CCn1c(CCCC)cc(=O)c2c(=O)[nH]c(=O)[nH]c21
InChIInChI=1S/C14H17N3O3/c1-3-5-6-9-8-10(18)11-12(17(9)7-4-2)15-14(20)16-13(11)19/h4,8H,2-3,5-7H2,1H3,(H2,15,16,19,20)
InChIKeyNPFKWURLBUBKIP-UHFFFAOYSA-N
XLogP0.91
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-butyl-8-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione?
The IUPAC name of 7-butyl-8-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione (CID 46245137) is 7-butyl-8-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione.
What is the SMILES notation for 7-butyl-8-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione?
The canonical SMILES for 7-butyl-8-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione is C=CCn1c(CCCC)cc(=O)c2c(=O)[nH]c(=O)[nH]c21.
What is the InChIKey of 7-butyl-8-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione?
The InChIKey is NPFKWURLBUBKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-5-6-9-8-10(18)11-12(17(9)7-4-2)15-14(20)16-13(11)19/h4,8H,2-3,5-7H2,1H3,(H2,15,16,19,20).
What are the key properties of 7-butyl-8-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione?
7-butyl-8-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione has a molecular weight of 275.31 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-8-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione is sourced from PubChem (CID 46245137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).