N-[4-(dipropylamino)-4-oxobutyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide

C15H23FN4O4 — CID 20525109

IUPACN-[4-(dipropylamino)-4-oxobutyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCN(CCC)C(=O)CCCNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C15H23FN4O4/c1-3-8-19(9-4-2)12(21)6-5-7-17-14(23)20-10-11(16)13(22)18-15(20)24/h10H,3-9H2,1-2H3,(H,17,23)(H,18,22,24)
InChIKeyQWLSPOSIUBETEX-UHFFFAOYSA-N
MW342.37 g/mol
LogP0.66
Rot. Bonds8

About N-[4-(dipropylamino)-4-oxobutyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide

N-[4-(dipropylamino)-4-oxobutyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 20525109) has the molecular formula C15H23FN4O4 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[4-(dipropylamino)-4-oxobutyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(dipropylamino)-4-oxobutyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
PubChem CID20525109
Molecular FormulaC15H23FN4O4
Molecular Weight342.37 g/mol
Exact Mass342.17
IUPAC NameN-[4-(dipropylamino)-4-oxobutyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCN(CCC)C(=O)CCCNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C15H23FN4O4/c1-3-8-19(9-4-2)12(21)6-5-7-17-14(23)20-10-11(16)13(22)18-15(20)24/h10H,3-9H2,1-2H3,(H,17,23)(H,18,22,24)
InChIKeyQWLSPOSIUBETEX-UHFFFAOYSA-N
XLogP0.66
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dipropylamino)-4-oxobutyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-[4-(dipropylamino)-4-oxobutyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (CID 20525109) is N-[4-(dipropylamino)-4-oxobutyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-[4-(dipropylamino)-4-oxobutyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-[4-(dipropylamino)-4-oxobutyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is CCCN(CCC)C(=O)CCCNC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of N-[4-(dipropylamino)-4-oxobutyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is QWLSPOSIUBETEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O4/c1-3-8-19(9-4-2)12(21)6-5-7-17-14(23)20-10-11(16)13(22)18-15(20)24/h10H,3-9H2,1-2H3,(H,17,23)(H,18,22,24).
What are the key properties of N-[4-(dipropylamino)-4-oxobutyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
N-[4-(dipropylamino)-4-oxobutyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 0.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dipropylamino)-4-oxobutyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 20525109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).