4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one

C8H10F3N3O — CID 136957960

IUPAC4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
SMILESCN(CCC(F)(F)F)c1cc(=O)[nH]cn1
InChIInChI=1S/C8H10F3N3O/c1-14(3-2-8(9,10)11)6-4-7(15)13-5-12-6/h4-5H,2-3H2,1H3,(H,12,13,15)
InChIKeyYAWGTIBVWZZJEF-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.16
Rot. Bonds3

About 4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one

4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136957960) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
PubChem CID136957960
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
SMILESCN(CCC(F)(F)F)c1cc(=O)[nH]cn1
InChIInChI=1S/C8H10F3N3O/c1-14(3-2-8(9,10)11)6-4-7(15)13-5-12-6/h4-5H,2-3H2,1H3,(H,12,13,15)
InChIKeyYAWGTIBVWZZJEF-UHFFFAOYSA-N
XLogP1.16
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Propylamino)-6-(trifluoromethyl)pyrimidin-4-ol
CID 136388272
6-(Dimethylamino)-4(3H)-pyrimidinone
CID 135755308
4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
4-fluoro-2-(propylamino)-1H-pyrimidin-6-one
CID 166556696
4-(Ethylamino)-6-hydroxypyrimidine
CID 135577485
4-[2-aminoethyl(2,2-difluoroethyl)amino]-1H-pyrimidin-6-one
CID 136728230
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136728238
4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736694
2-(Methyl-propyl-amino)-6-trifluoromethyl-pyrimidin-4-ol
CID 136741413
5-iodo-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786690
4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786693
4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802783

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one (CID 136957960) is 4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one is CN(CCC(F)(F)F)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is YAWGTIBVWZZJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-14(3-2-8(9,10)11)6-4-7(15)13-5-12-6/h4-5H,2-3H2,1H3,(H,12,13,15).
What are the key properties of 4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one?
4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 221.18 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).