3-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-4-one

C8H10F3N3O — CID 103366592

IUPAC3-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-4-one
SMILESNCC(Cn1cnccc1=O)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)6(3-12)4-14-5-13-2-1-7(14)15/h1-2,5-6H,3-4,12H2
InChIKeyOJOYTUFSAWBGMX-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.38
Rot. Bonds3

About 3-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-4-one

3-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-4-one (PubChem CID 103366592) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-4-one
PubChem CID103366592
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name3-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-4-one
SMILESNCC(Cn1cnccc1=O)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)6(3-12)4-14-5-13-2-1-7(14)15/h1-2,5-6H,3-4,12H2
InChIKeyOJOYTUFSAWBGMX-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

3-(3-Amino-1,1,1-trifluoropropan-2-yl)pyrimidin-4-one
CID 63768285
3-[2-(2,2,2-Trifluoroethylamino)ethyl]pyrimidin-4-one
CID 63795974
3-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyrimidin-4-one
CID 103366556
3,3,3-Trifluoro-2-[(6-oxopyrimidin-1-yl)methyl]propanenitrile
CID 103368144
3,3,3-Trifluoro-2-[(6-oxopyrimidin-1-yl)methyl]propanethioamide
CID 103368944
3-(3,3,3-Trifluoropropyl)pyrimidin-4-one
CID 115696887
2-(6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 115696888
3-(4,4,4-Trifluorobutyl)pyrimidin-4-one
CID 116622742
3-[3-(2-Methylpropylamino)propyl]pyrimidin-4-one
CID 63767949
3-[3-(Ethylamino)propyl]pyrimidin-4-one
CID 63767956
3-[3-(Propylamino)propyl]pyrimidin-4-one
CID 63768830
3-[3-(Methylamino)propyl]pyrimidin-4-one
CID 63768831

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-4-one (CID 103366592) is 3-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-4-one is NCC(Cn1cnccc1=O)C(F)(F)F.
What is the InChIKey of 3-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-4-one?
The InChIKey is OJOYTUFSAWBGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)6(3-12)4-14-5-13-2-1-7(14)15/h1-2,5-6H,3-4,12H2.
What are the key properties of 3-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-4-one?
3-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-4-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 3-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-4-one is sourced from PubChem (CID 103366592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).