1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyrimidin-2-one

C9H12F3N3O — CID 103366586

IUPAC1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CC(CN)C(F)(F)F)c1
InChIInChI=1S/C9H12F3N3O/c1-6-3-14-8(16)15(4-6)5-7(2-13)9(10,11)12/h3-4,7H,2,5,13H2,1H3
InChIKeyMAYCRDXVNQDWAL-UHFFFAOYSA-N
MW235.21 g/mol
LogP0.69
Rot. Bonds3

About 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyrimidin-2-one

1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyrimidin-2-one (PubChem CID 103366586) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyrimidin-2-one
PubChem CID103366586
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CC(CN)C(F)(F)F)c1
InChIInChI=1S/C9H12F3N3O/c1-6-3-14-8(16)15(4-6)5-7(2-13)9(10,11)12/h3-4,7H,2,5,13H2,1H3
InChIKeyMAYCRDXVNQDWAL-UHFFFAOYSA-N
XLogP0.69
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-methylpyrimidin-2-one
CID 63206369
5-Methyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrimidin-2-one
CID 63206969
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-2-one
CID 103366509
3,3,3-Trifluoro-2-[(5-methyl-2-oxopyrimidin-1-yl)methyl]propanenitrile
CID 103368136
3,3,3-Trifluoro-2-[(5-methyl-2-oxopyrimidin-1-yl)methyl]propanethioamide
CID 113807880
5-Methyl-1-[3-(propylamino)propyl]pyrimidin-2-one
CID 63205984
1-[3-(Ethylamino)propyl]-5-methylpyrimidin-2-one
CID 63205985
5-Methyl-1-[3-(2-methylpropylamino)propyl]pyrimidin-2-one
CID 63206026
5-Methyl-1-[3-(methylamino)propyl]pyrimidin-2-one
CID 63206028
1-(3-Aminopropyl)-5-methylpyrimidin-2-one
CID 63206224
1-(4-Aminobutyl)-5-methylpyrimidin-2-one
CID 63206275
1-(3-Amino-2-methylpropyl)-5-methylpyrimidin-2-one
CID 63206277

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyrimidin-2-one?
The IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyrimidin-2-one (CID 103366586) is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyrimidin-2-one?
The canonical SMILES for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyrimidin-2-one is Cc1cnc(=O)n(CC(CN)C(F)(F)F)c1.
What is the InChIKey of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyrimidin-2-one?
The InChIKey is MAYCRDXVNQDWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-6-3-14-8(16)15(4-6)5-7(2-13)9(10,11)12/h3-4,7H,2,5,13H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyrimidin-2-one?
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyrimidin-2-one has a molecular weight of 235.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 103366586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).