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

C15H18FN3O3 — CID 46244970

IUPAC7-butyl-8-(fluoromethyl)-3-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione
SMILESC=CCn1c(=O)[nH]c2c(c(=O)cc(CCCC)n2CF)c1=O
InChIInChI=1S/C15H18FN3O3/c1-3-5-6-10-8-11(20)12-13(19(10)9-16)17-15(22)18(7-4-2)14(12)21/h4,8H,2-3,5-7,9H2,1H3,(H,17,22)
InChIKeyZCBLAAPQDCKBCK-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.31
Rot. Bonds6

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

7-butyl-8-(fluoromethyl)-3-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione (PubChem CID 46244970) has the molecular formula C15H18FN3O3 and a molecular weight of 307.33 g/mol. Its IUPAC name is 7-butyl-8-(fluoromethyl)-3-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione.

Molecular Properties

Compound Name7-butyl-8-(fluoromethyl)-3-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione
PubChem CID46244970
Molecular FormulaC15H18FN3O3
Molecular Weight307.33 g/mol
Exact Mass307.13
IUPAC Name7-butyl-8-(fluoromethyl)-3-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione
SMILESC=CCn1c(=O)[nH]c2c(c(=O)cc(CCCC)n2CF)c1=O
InChIInChI=1S/C15H18FN3O3/c1-3-5-6-10-8-11(20)12-13(19(10)9-16)17-15(22)18(7-4-2)14(12)21/h4,8H,2-3,5-7,9H2,1H3,(H,17,22)
InChIKeyZCBLAAPQDCKBCK-UHFFFAOYSA-N
XLogP1.31
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(fluoromethyl)-3-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione?
The IUPAC name of 7-butyl-8-(fluoromethyl)-3-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione (CID 46244970) is 7-butyl-8-(fluoromethyl)-3-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione.
What is the SMILES notation for 7-butyl-8-(fluoromethyl)-3-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione?
The canonical SMILES for 7-butyl-8-(fluoromethyl)-3-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione is C=CCn1c(=O)[nH]c2c(c(=O)cc(CCCC)n2CF)c1=O.
What is the InChIKey of 7-butyl-8-(fluoromethyl)-3-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione?
The InChIKey is ZCBLAAPQDCKBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c1-3-5-6-10-8-11(20)12-13(19(10)9-16)17-15(22)18(7-4-2)14(12)21/h4,8H,2-3,5-7,9H2,1H3,(H,17,22).
What are the key properties of 7-butyl-8-(fluoromethyl)-3-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione?
7-butyl-8-(fluoromethyl)-3-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione has a molecular weight of 307.33 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-8-(fluoromethyl)-3-prop-2-enyl-1H-pyrido[2,3-d]pyrimidine-2,4,5-trione is sourced from PubChem (CID 46244970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).