N-cyclohexyl-5-fluoro-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide

C12H16FN3O2 — CID 166390901

IUPACN-cyclohexyl-5-fluoro-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCN(C(=O)c1nc[nH]c(=O)c1F)C1CCCCC1
InChIInChI=1S/C12H16FN3O2/c1-16(8-5-3-2-4-6-8)12(18)10-9(13)11(17)15-7-14-10/h7-8H,2-6H2,1H3,(H,14,15,17)
InChIKeyFJWYVTVAGROICS-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.31
Rot. Bonds2

About N-cyclohexyl-5-fluoro-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide

N-cyclohexyl-5-fluoro-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 166390901) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is N-cyclohexyl-5-fluoro-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-fluoro-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID166390901
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC NameN-cyclohexyl-5-fluoro-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCN(C(=O)c1nc[nH]c(=O)c1F)C1CCCCC1
InChIInChI=1S/C12H16FN3O2/c1-16(8-5-3-2-4-6-8)12(18)10-9(13)11(17)15-7-14-10/h7-8H,2-6H2,1H3,(H,14,15,17)
InChIKeyFJWYVTVAGROICS-UHFFFAOYSA-N
XLogP1.31
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-fluoro-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-5-fluoro-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide (CID 166390901) is N-cyclohexyl-5-fluoro-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-fluoro-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-5-fluoro-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide is CN(C(=O)c1nc[nH]c(=O)c1F)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-5-fluoro-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is FJWYVTVAGROICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-16(8-5-3-2-4-6-8)12(18)10-9(13)11(17)15-7-14-10/h7-8H,2-6H2,1H3,(H,14,15,17).
What are the key properties of N-cyclohexyl-5-fluoro-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
N-cyclohexyl-5-fluoro-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 253.28 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-fluoro-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 166390901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).