5-(aminomethyl)-2-(3,3-difluorocyclohexyl)-1H-pyrimidin-6-one

C11H15F2N3O — CID 114216766

IUPAC5-(aminomethyl)-2-(3,3-difluorocyclohexyl)-1H-pyrimidin-6-one
SMILESNCc1cnc(C2CCCC(F)(F)C2)[nH]c1=O
InChIInChI=1S/C11H15F2N3O/c12-11(13)3-1-2-7(4-11)9-15-6-8(5-14)10(17)16-9/h6-7H,1-5,14H2,(H,15,16,17)
InChIKeyUNLJAVIXKUYYSJ-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.52
Rot. Bonds2

About 5-(aminomethyl)-2-(3,3-difluorocyclohexyl)-1H-pyrimidin-6-one

5-(aminomethyl)-2-(3,3-difluorocyclohexyl)-1H-pyrimidin-6-one (PubChem CID 114216766) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(3,3-difluorocyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-(3,3-difluorocyclohexyl)-1H-pyrimidin-6-one
PubChem CID114216766
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name5-(aminomethyl)-2-(3,3-difluorocyclohexyl)-1H-pyrimidin-6-one
SMILESNCc1cnc(C2CCCC(F)(F)C2)[nH]c1=O
InChIInChI=1S/C11H15F2N3O/c12-11(13)3-1-2-7(4-11)9-15-6-8(5-14)10(17)16-9/h6-7H,1-5,14H2,(H,15,16,17)
InChIKeyUNLJAVIXKUYYSJ-UHFFFAOYSA-N
XLogP1.52
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 104189962
2-(3,3-difluorocyclohexyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 114216764
2-(3,3-difluorocyclopentyl)-5-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 114217064
4-amino-2-(3,3-difluorocyclohexyl)-5-methyl-1H-pyrimidin-6-one
CID 137010975
2-[(1S)-3,3-difluorocyclohexyl]-1H-pyrimidin-6-one
CID 177192130
2-cyclohexyl-5-methyl-1H-pyrimidin-6-one
CID 59473971
5-(aminomethyl)-2-cyclopentyl-1H-pyrimidin-6-one
CID 82505089
5-(aminomethyl)-2-cyclohexyl-1H-pyrimidin-6-one
CID 82507340
5-(2-aminoethyl)-2-cyclohexyl-1H-pyrimidin-6-one
CID 83852403
2-cyclohexyl-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 84130400
5-(aminomethyl)-2-(4-ethylcyclohexyl)-1H-pyrimidin-6-one
CID 104189915
5-(aminomethyl)-2-(3-methylbutyl)-1H-pyrimidin-6-one
CID 104189924

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(3,3-difluorocyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-2-(3,3-difluorocyclohexyl)-1H-pyrimidin-6-one (CID 114216766) is 5-(aminomethyl)-2-(3,3-difluorocyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-2-(3,3-difluorocyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-2-(3,3-difluorocyclohexyl)-1H-pyrimidin-6-one is NCc1cnc(C2CCCC(F)(F)C2)[nH]c1=O.
What is the InChIKey of 5-(aminomethyl)-2-(3,3-difluorocyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is UNLJAVIXKUYYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c12-11(13)3-1-2-7(4-11)9-15-6-8(5-14)10(17)16-9/h6-7H,1-5,14H2,(H,15,16,17).
What are the key properties of 5-(aminomethyl)-2-(3,3-difluorocyclohexyl)-1H-pyrimidin-6-one?
5-(aminomethyl)-2-(3,3-difluorocyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 243.26 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(3,3-difluorocyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114216766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).