2-[cyclohexyl(methyl)amino]-5-fluoro-1H-pyrimidin-6-one

C11H16FN3O — CID 53415571

IUPAC2-[cyclohexyl(methyl)amino]-5-fluoro-1H-pyrimidin-6-one
SMILESCN(c1ncc(F)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C11H16FN3O/c1-15(8-5-3-2-4-6-8)11-13-7-9(12)10(16)14-11/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyREQQCFKJOFRPPX-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.68
Rot. Bonds2

About 2-[cyclohexyl(methyl)amino]-5-fluoro-1H-pyrimidin-6-one

2-[cyclohexyl(methyl)amino]-5-fluoro-1H-pyrimidin-6-one (PubChem CID 53415571) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-5-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-5-fluoro-1H-pyrimidin-6-one
PubChem CID53415571
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name2-[cyclohexyl(methyl)amino]-5-fluoro-1H-pyrimidin-6-one
SMILESCN(c1ncc(F)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C11H16FN3O/c1-15(8-5-3-2-4-6-8)11-13-7-9(12)10(16)14-11/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyREQQCFKJOFRPPX-UHFFFAOYSA-N
XLogP1.68
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-5-fluoro-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-5-fluoro-1H-pyrimidin-6-one (CID 53415571) is 2-[cyclohexyl(methyl)amino]-5-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-5-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-5-fluoro-1H-pyrimidin-6-one is CN(c1ncc(F)c(=O)[nH]1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-5-fluoro-1H-pyrimidin-6-one?
The InChIKey is REQQCFKJOFRPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-15(8-5-3-2-4-6-8)11-13-7-9(12)10(16)14-11/h7-8H,2-6H2,1H3,(H,13,14,16).
What are the key properties of 2-[cyclohexyl(methyl)amino]-5-fluoro-1H-pyrimidin-6-one?
2-[cyclohexyl(methyl)amino]-5-fluoro-1H-pyrimidin-6-one has a molecular weight of 225.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-5-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 53415571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).