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

C10H15F3N4O — CID 136932128

IUPAC4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(CCN)CC(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C10H15F3N4O/c1-2-7-15-8(5-9(18)16-7)17(4-3-14)6-10(11,12)13/h5H,2-4,6,14H2,1H3,(H,15,16,18)
InChIKeyJQKGCODFXMIHIM-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.66
Rot. Bonds5

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

4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136932128) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136932128
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(CCN)CC(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C10H15F3N4O/c1-2-7-15-8(5-9(18)16-7)17(4-3-14)6-10(11,12)13/h5H,2-4,6,14H2,1H3,(H,15,16,18)
InChIKeyJQKGCODFXMIHIM-UHFFFAOYSA-N
XLogP0.66
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113604521
4-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 135978395
4-[(propan-2-ylamino)methyl]-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136095368
4-(ethylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136095578
4-(propylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136095842
2-(ethylaminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136103352
2-(1-piperazin-1-ylethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136130868
4-(methylaminomethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136283618
4-(ethylaminomethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136283621
4-piperazin-1-yl-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136327232
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136728227
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136728229

Frequently Asked Questions

What is the IUPAC name of 4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one (CID 136932128) is 4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N(CCN)CC(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is JQKGCODFXMIHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-2-7-15-8(5-9(18)16-7)17(4-3-14)6-10(11,12)13/h5H,2-4,6,14H2,1H3,(H,15,16,18).
What are the key properties of 4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one?
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 264.25 g/mol, XLogP of 0.66, 5 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]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136932128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).