3-(cyclopropylmethyl)-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide

C15H22FN3O3 — CID 71654969

IUPAC3-(cyclopropylmethyl)-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)n1cc(F)c(=O)n(CC2CC2)c1=O
InChIInChI=1S/C15H22FN3O3/c1-2-3-4-5-8-17-14(21)19-10-12(16)13(20)18(15(19)22)9-11-6-7-11/h10-11H,2-9H2,1H3,(H,17,21)
InChIKeyWXUQCRYZVDSMBW-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.70
Rot. Bonds7

About 3-(cyclopropylmethyl)-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide

3-(cyclopropylmethyl)-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 71654969) has the molecular formula C15H22FN3O3 and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
PubChem CID71654969
Molecular FormulaC15H22FN3O3
Molecular Weight311.36 g/mol
Exact Mass311.16
IUPAC Name3-(cyclopropylmethyl)-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)n1cc(F)c(=O)n(CC2CC2)c1=O
InChIInChI=1S/C15H22FN3O3/c1-2-3-4-5-8-17-14(21)19-10-12(16)13(20)18(15(19)22)9-11-6-7-11/h10-11H,2-9H2,1H3,(H,17,21)
InChIKeyWXUQCRYZVDSMBW-UHFFFAOYSA-N
XLogP1.70
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
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 3-(cyclopropylmethyl)-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of 3-(cyclopropylmethyl)-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide (CID 71654969) is 3-(cyclopropylmethyl)-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 3-(cyclopropylmethyl)-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 3-(cyclopropylmethyl)-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide is CCCCCCNC(=O)n1cc(F)c(=O)n(CC2CC2)c1=O.
What is the InChIKey of 3-(cyclopropylmethyl)-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is WXUQCRYZVDSMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O3/c1-2-3-4-5-8-17-14(21)19-10-12(16)13(20)18(15(19)22)9-11-6-7-11/h10-11H,2-9H2,1H3,(H,17,21).
What are the key properties of 3-(cyclopropylmethyl)-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
3-(cyclopropylmethyl)-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 71654969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).