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

C12H16FN3O3 — CID 10563888

IUPAC5-fluoro-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide
SMILESCC1CCCCC1NC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H16FN3O3/c1-7-4-2-3-5-9(7)14-11(18)16-6-8(13)10(17)15-12(16)19/h6-7,9H,2-5H2,1H3,(H,14,18)(H,15,17,19)
InChIKeyKTCJBLBKOYZGJV-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.81
Rot. Bonds1

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

5-fluoro-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 10563888) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is 5-fluoro-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide
PubChem CID10563888
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Name5-fluoro-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide
SMILESCC1CCCCC1NC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H16FN3O3/c1-7-4-2-3-5-9(7)14-11(18)16-6-8(13)10(17)15-12(16)19/h6-7,9H,2-5H2,1H3,(H,14,18)(H,15,17,19)
InChIKeyKTCJBLBKOYZGJV-UHFFFAOYSA-N
XLogP0.81
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
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 5-fluoro-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of 5-fluoro-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide (CID 10563888) is 5-fluoro-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 5-fluoro-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide is CC1CCCCC1NC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is KTCJBLBKOYZGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3/c1-7-4-2-3-5-9(7)14-11(18)16-6-8(13)10(17)15-12(16)19/h6-7,9H,2-5H2,1H3,(H,14,18)(H,15,17,19).
What are the key properties of 5-fluoro-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide?
5-fluoro-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 269.28 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-methylcyclohexyl)-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 10563888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).