4-[(5-fluoropyrimidin-2-yl)-methylamino]cyclohexan-1-one

C11H14FN3O — CID 104606100

IUPAC4-[(5-fluoropyrimidin-2-yl)-methylamino]cyclohexan-1-one
SMILESCN(c1ncc(F)cn1)C1CCC(=O)CC1
InChIInChI=1S/C11H14FN3O/c1-15(9-2-4-10(16)5-3-9)11-13-6-8(12)7-14-11/h6-7,9H,2-5H2,1H3
InChIKeyGAVBNUZVZHXAIZ-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.56
Rot. Bonds2

About 4-[(5-fluoropyrimidin-2-yl)-methylamino]cyclohexan-1-one

4-[(5-fluoropyrimidin-2-yl)-methylamino]cyclohexan-1-one (PubChem CID 104606100) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 4-[(5-fluoropyrimidin-2-yl)-methylamino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[(5-fluoropyrimidin-2-yl)-methylamino]cyclohexan-1-one
PubChem CID104606100
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name4-[(5-fluoropyrimidin-2-yl)-methylamino]cyclohexan-1-one
SMILESCN(c1ncc(F)cn1)C1CCC(=O)CC1
InChIInChI=1S/C11H14FN3O/c1-15(9-2-4-10(16)5-3-9)11-13-6-8(12)7-14-11/h6-7,9H,2-5H2,1H3
InChIKeyGAVBNUZVZHXAIZ-UHFFFAOYSA-N
XLogP1.56
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-3-(2-chloro-5-fluoropyrimidin-4-ylamino)cyclohexanone
CID 86667417
3-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-one
CID 87339045
1-[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]ethanone
CID 104606097
4-(5-Fluoropyrimidin-2-yl)butan-2-one
CID 170609767
1-(5-Fluoropyrimidin-2-yl)-4-methylpentan-3-one
CID 170610136
4-(5-Fluoropyrimidin-2-yl)cyclohexan-1-one
CID 177365237
2-Methyl-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-one
CID 177936768
1-(5-Fluoropyrimidin-2-yl)piperidin-4-one
CID 104606095
1-[1-(5-Fluoropyrimidin-2-yl)piperidin-3-yl]ethanone
CID 104606096
1-[1-(5-Fluoropyrimidin-2-yl)piperidin-2-yl]ethanone
CID 104606098
1-(5-Fluoropyrimidin-2-yl)piperidin-3-one
CID 104606101
1-(5-Fluoropyrimidin-2-yl)piperidine-2-carbaldehyde
CID 104606641

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoropyrimidin-2-yl)-methylamino]cyclohexan-1-one?
The IUPAC name of 4-[(5-fluoropyrimidin-2-yl)-methylamino]cyclohexan-1-one (CID 104606100) is 4-[(5-fluoropyrimidin-2-yl)-methylamino]cyclohexan-1-one.
What is the SMILES notation for 4-[(5-fluoropyrimidin-2-yl)-methylamino]cyclohexan-1-one?
The canonical SMILES for 4-[(5-fluoropyrimidin-2-yl)-methylamino]cyclohexan-1-one is CN(c1ncc(F)cn1)C1CCC(=O)CC1.
What is the InChIKey of 4-[(5-fluoropyrimidin-2-yl)-methylamino]cyclohexan-1-one?
The InChIKey is GAVBNUZVZHXAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-15(9-2-4-10(16)5-3-9)11-13-6-8(12)7-14-11/h6-7,9H,2-5H2,1H3.
What are the key properties of 4-[(5-fluoropyrimidin-2-yl)-methylamino]cyclohexan-1-one?
4-[(5-fluoropyrimidin-2-yl)-methylamino]cyclohexan-1-one has a molecular weight of 223.25 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoropyrimidin-2-yl)-methylamino]cyclohexan-1-one is sourced from PubChem (CID 104606100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).