1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrimidin-2-one

C8H10F3N3O — CID 43753202

IUPAC1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrimidin-2-one
SMILESNCCC(n1cccnc1=O)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)6(2-3-12)14-5-1-4-13-7(14)15/h1,4-6H,2-3,12H2
InChIKeyGZVHZRUMPTZLSC-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.70
Rot. Bonds3

About 1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrimidin-2-one

1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrimidin-2-one (PubChem CID 43753202) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrimidin-2-one
PubChem CID43753202
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrimidin-2-one
SMILESNCCC(n1cccnc1=O)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)6(2-3-12)14-5-1-4-13-7(14)15/h1,4-6H,2-3,12H2
InChIKeyGZVHZRUMPTZLSC-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Aminopropyl)-1,2-dihydropyrimidin-2-one
CID 16786789
N-(4,4-difluorocyclohexyl)-2H-pyrimidine-1-carboxamide
CID 140574616
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-[2-(2,2,2-Trifluoroethylamino)ethyl]pyrimidin-2-one
CID 62564670
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-2-one
CID 103366509
1-(4,4,4-Trifluorobutyl)pyrimidin-2-one
CID 116618423
1-(3-Aminopentan-2-yl)pyrimidin-2-one
CID 16795027
1-(4-Aminobutyl)-2(1H)-pyrimidinone
CID 20120563
1-(1-Aminopentan-3-yl)pyrimidin-2-one
CID 43428359
1-[3-(Propan-2-ylamino)propyl]pyrimidin-2-one
CID 61386960
1-[3-(Cyclopropylamino)propyl]pyrimidin-2-one
CID 61386970

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrimidin-2-one?
The IUPAC name of 1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrimidin-2-one (CID 43753202) is 1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrimidin-2-one.
What is the SMILES notation for 1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrimidin-2-one?
The canonical SMILES for 1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrimidin-2-one is NCCC(n1cccnc1=O)C(F)(F)F.
What is the InChIKey of 1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrimidin-2-one?
The InChIKey is GZVHZRUMPTZLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)6(2-3-12)14-5-1-4-13-7(14)15/h1,4-6H,2-3,12H2.
What are the key properties of 1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrimidin-2-one?
1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrimidin-2-one has a molecular weight of 221.18 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1,1,1-trifluorobutan-2-yl)pyrimidin-2-one is sourced from PubChem (CID 43753202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).