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

C8H10F3N3O — CID 103366509

IUPAC1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-2-one
SMILESNCC(Cn1cccnc1=O)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)6(4-12)5-14-3-1-2-13-7(14)15/h1-3,6H,4-5,12H2
InChIKeyXVZNPFVQSMCZHO-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.38
Rot. Bonds3

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

1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-2-one (PubChem CID 103366509) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-2-one
PubChem CID103366509
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-2-one
SMILESNCC(Cn1cccnc1=O)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)6(4-12)5-14-3-1-2-13-7(14)15/h1-3,6H,4-5,12H2
InChIKeyXVZNPFVQSMCZHO-UHFFFAOYSA-N
XLogP0.38
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Aminopropyl)-1,2-dihydropyrimidin-2-one
CID 16786789
2,2,2-trifluoro-N-[3-(2-oxopyrimidin-1-yl)propyl]acetamide
CID 141939079
1-(3-Amino-1,1,1-trifluoropropan-2-yl)pyrimidin-2-one
CID 43752779
1-(4-Amino-1,1,1-trifluorobutan-2-yl)pyrimidin-2-one
CID 43753202
1-[2-(2,2,2-Trifluoroethylamino)ethyl]pyrimidin-2-one
CID 62564670
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyrimidin-2-one
CID 103366586
3,3,3-Trifluoro-2-[(2-oxopyrimidin-1-yl)methyl]propanethioamide
CID 103368878
1-(4,4,4-Trifluorobutyl)pyrimidin-2-one
CID 116618423
1-(4-Aminobutyl)-2(1H)-pyrimidinone
CID 20120563
1-(3-Amino-2-methylpropyl)pyrimidin-2-one
CID 43367705
1-[3-(Methylamino)propyl]pyrimidin-2-one
CID 61386972
1-[3-(2-Methylpropylamino)propyl]pyrimidin-2-one
CID 62562943

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-2-one?
The IUPAC name of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-2-one (CID 103366509) is 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-2-one is NCC(Cn1cccnc1=O)C(F)(F)F.
What is the InChIKey of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-2-one?
The InChIKey is XVZNPFVQSMCZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)6(4-12)5-14-3-1-2-13-7(14)15/h1-3,6H,4-5,12H2.
What are the key properties of 1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-2-one?
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-2-one has a molecular weight of 221.18 g/mol, XLogP of 0.38, 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]pyrimidin-2-one is sourced from PubChem (CID 103366509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).