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

C14H20FN3O3 — CID 13231115

IUPACN-(3-cyclohexylpropyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C(NCCCC1CCCCC1)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C14H20FN3O3/c15-11-9-18(14(21)17-12(11)19)13(20)16-8-4-7-10-5-2-1-3-6-10/h9-10H,1-8H2,(H,16,20)(H,17,19,21)
InChIKeyVGNLRUNISRGJBB-UHFFFAOYSA-N
MW297.33 g/mol
LogP1.59
Rot. Bonds4

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

N-(3-cyclohexylpropyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 13231115) has the molecular formula C14H20FN3O3 and a molecular weight of 297.33 g/mol. Its IUPAC name is N-(3-cyclohexylpropyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexylpropyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
PubChem CID13231115
Molecular FormulaC14H20FN3O3
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC NameN-(3-cyclohexylpropyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C(NCCCC1CCCCC1)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C14H20FN3O3/c15-11-9-18(14(21)17-12(11)19)13(20)16-8-4-7-10-5-2-1-3-6-10/h9-10H,1-8H2,(H,16,20)(H,17,19,21)
InChIKeyVGNLRUNISRGJBB-UHFFFAOYSA-N
XLogP1.59
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-cyclohexylpropyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-(3-cyclohexylpropyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (CID 13231115) is N-(3-cyclohexylpropyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-(3-cyclohexylpropyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-(3-cyclohexylpropyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is O=C(NCCCC1CCCCC1)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of N-(3-cyclohexylpropyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is VGNLRUNISRGJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3/c15-11-9-18(14(21)17-12(11)19)13(20)16-8-4-7-10-5-2-1-3-6-10/h9-10H,1-8H2,(H,16,20)(H,17,19,21).
What are the key properties of N-(3-cyclohexylpropyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
N-(3-cyclohexylpropyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 297.33 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylpropyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 13231115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).