6-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one

C7H8F3N3O — CID 83848428

IUPAC6-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESNCCc1cc(C(F)(F)F)nc(=O)[nH]1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)5-3-4(1-2-11)12-6(14)13-5/h3H,1-2,11H2,(H,12,13,14)
InChIKeyOGNAROWDKXPBFY-UHFFFAOYSA-N
MW207.15 g/mol
LogP0.29
Rot. Bonds2

About 6-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one

6-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 83848428) has the molecular formula C7H8F3N3O and a molecular weight of 207.15 g/mol. Its IUPAC name is 6-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID83848428
Molecular FormulaC7H8F3N3O
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC Name6-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESNCCc1cc(C(F)(F)F)nc(=O)[nH]1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)5-3-4(1-2-11)12-6(14)13-5/h3H,1-2,11H2,(H,12,13,14)
InChIKeyOGNAROWDKXPBFY-UHFFFAOYSA-N
XLogP0.29
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-6-(trifluoromethyl)pyrimidin-2-ol
CID 4913130
4-(2-Aminoethyl)pyrimidin-2-ol hydrochloride
CID 137951902
2-Hydroxy-4-tetrafluoroethyl-6-trifluoromethylpyrimidine
CID 129781351
4-(1,1-difluoroethyl)-6-methyl-1H-pyrimidin-2-one
CID 123325986
4-Methyl-6-(trifluoromethyl)pyrimidin-2(1H)-one hydrochloride
CID 12343167
2(1H)-Pyrimidinone, 4-(1-methylethyl)-6-(trifluoromethyl)-
CID 13320944
1-(4-Amino-1,1,1-trifluorobutan-2-yl)-4,6-dimethylpyrimidin-2-one
CID 43753201
6-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 82402396
4-(2-Aminoethyl)pyrimidin-2-ol
CID 82593993
6-(1-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83848427
6-(methylaminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83848429
6-(2-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83849648

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one (CID 83848428) is 6-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one is NCCc1cc(C(F)(F)F)nc(=O)[nH]1.
What is the InChIKey of 6-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is OGNAROWDKXPBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c8-7(9,10)5-3-4(1-2-11)12-6(14)13-5/h3H,1-2,11H2,(H,12,13,14).
What are the key properties of 6-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
6-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 207.15 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 83848428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).