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

C12H16FN3O3 — CID 10730672

IUPACN-(cyclohexylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C(NCC1CCCCC1)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H16FN3O3/c13-9-7-16(12(19)15-10(9)17)11(18)14-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,14,18)(H,15,17,19)
InChIKeySTRVWIWCJDTKDR-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.81
Rot. Bonds2

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

N-(cyclohexylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 10730672) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
PubChem CID10730672
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC NameN-(cyclohexylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C(NCC1CCCCC1)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H16FN3O3/c13-9-7-16(12(19)15-10(9)17)11(18)14-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,14,18)(H,15,17,19)
InChIKeySTRVWIWCJDTKDR-UHFFFAOYSA-N
XLogP0.81
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (CID 10730672) is N-(cyclohexylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is O=C(NCC1CCCCC1)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of N-(cyclohexylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is STRVWIWCJDTKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3/c13-9-7-16(12(19)15-10(9)17)11(18)14-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,14,18)(H,15,17,19).
What are the key properties of N-(cyclohexylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
N-(cyclohexylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 269.28 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 10730672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).