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

C13H18FN3O3 — CID 10802909

IUPACN-(3,4-dimethylcyclohexyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESCC1CCC(NC(=O)n2cc(F)c(=O)[nH]c2=O)CC1C
InChIInChI=1S/C13H18FN3O3/c1-7-3-4-9(5-8(7)2)15-12(19)17-6-10(14)11(18)16-13(17)20/h6-9H,3-5H2,1-2H3,(H,15,19)(H,16,18,20)
InChIKeySGMRBNIBIMFCNZ-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.06
Rot. Bonds1

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

N-(3,4-dimethylcyclohexyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 10802909) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
PubChem CID10802909
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-(3,4-dimethylcyclohexyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
SMILESCC1CCC(NC(=O)n2cc(F)c(=O)[nH]c2=O)CC1C
InChIInChI=1S/C13H18FN3O3/c1-7-3-4-9(5-8(7)2)15-12(19)17-6-10(14)11(18)16-13(17)20/h6-9H,3-5H2,1-2H3,(H,15,19)(H,16,18,20)
InChIKeySGMRBNIBIMFCNZ-UHFFFAOYSA-N
XLogP1.06
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide (CID 10802909) is N-(3,4-dimethylcyclohexyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is CC1CCC(NC(=O)n2cc(F)c(=O)[nH]c2=O)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is SGMRBNIBIMFCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3/c1-7-3-4-9(5-8(7)2)15-12(19)17-6-10(14)11(18)16-13(17)20/h6-9H,3-5H2,1-2H3,(H,15,19)(H,16,18,20).
What are the key properties of N-(3,4-dimethylcyclohexyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide?
N-(3,4-dimethylcyclohexyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 283.30 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 10802909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).