4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one

C8H11F3N4O — CID 136728238

IUPAC4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
SMILESNCCN(CC(F)(F)F)c1cc(=O)[nH]cn1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)4-15(2-1-12)6-3-7(16)14-5-13-6/h3,5H,1-2,4,12H2,(H,13,14,16)
InChIKeyUSESGIQWKRMBKZ-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.10
Rot. Bonds4

About 4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one

4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136728238) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
PubChem CID136728238
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
SMILESNCCN(CC(F)(F)F)c1cc(=O)[nH]cn1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)4-15(2-1-12)6-3-7(16)14-5-13-6/h3,5H,1-2,4,12H2,(H,13,14,16)
InChIKeyUSESGIQWKRMBKZ-UHFFFAOYSA-N
XLogP0.10
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-piperazin-1-yl-3H-pyrimidin-4-one
CID 136102540
3-[2-(2,2,2-Trifluoroethylamino)ethyl]pyrimidin-4-one
CID 63795974
4-piperazin-1-yl-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136327232
2-[2-(diethylamino)ethylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136350752
4-[2-aminoethyl(2,2-difluoroethyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136728226
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136728227
4-[2-aminoethyl(2,2-difluoroethyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136728228
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136728229
4-[2-aminoethyl(2,2-difluoroethyl)amino]-1H-pyrimidin-6-one
CID 136728230
4-[2-aminoethyl(2,2-difluoroethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136728231
5-amino-4-[2-aminoethyl(2,2-difluoroethyl)amino]-1H-pyrimidin-6-one
CID 136728232
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136728233

Frequently Asked Questions

What is the IUPAC name of 4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one (CID 136728238) is 4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one is NCCN(CC(F)(F)F)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is USESGIQWKRMBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c9-8(10,11)4-15(2-1-12)6-3-7(16)14-5-13-6/h3,5H,1-2,4,12H2,(H,13,14,16).
What are the key properties of 4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one?
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 236.20 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136728238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).