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

C7H8F3N3O — CID 136802785

IUPAC4-(ethylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCNc1cc(=O)[nH]c(C(F)(F)F)n1
InChIInChI=1S/C7H8F3N3O/c1-2-11-4-3-5(14)13-6(12-4)7(8,9)10/h3H,2H2,1H3,(H2,11,12,13,14)
InChIKeyBUSJDRBIGIRICY-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.22
Rot. Bonds2

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

4-(ethylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136802785) has the molecular formula C7H8F3N3O and a molecular weight of 207.15 g/mol. Its IUPAC name is 4-(ethylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(ethylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136802785
Molecular FormulaC7H8F3N3O
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC Name4-(ethylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCNc1cc(=O)[nH]c(C(F)(F)F)n1
InChIInChI=1S/C7H8F3N3O/c1-2-11-4-3-5(14)13-6(12-4)7(8,9)10/h3H,2H2,1H3,(H2,11,12,13,14)
InChIKeyBUSJDRBIGIRICY-UHFFFAOYSA-N
XLogP1.22
TPSA57.78 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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Amino-2-(trifluoromethyl)pyrimidin-4-ol
CID 135408606
2-(ethylamino)-6-fluoro-1H-pyrimidin-4-one
CID 135506826
2-Methyl-6-(methylamino)-4-pyrimidinol
CID 135577483
2-(methylaminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136103160
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
2-methyl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786687
2-propan-2-yl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786694
4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802783
4-(methylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802784
2-methyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819404

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(ethylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136802785) is 4-(ethylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(ethylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(ethylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one is CCNc1cc(=O)[nH]c(C(F)(F)F)n1.
What is the InChIKey of 4-(ethylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is BUSJDRBIGIRICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-2-11-4-3-5(14)13-6(12-4)7(8,9)10/h3H,2H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-(ethylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one?
4-(ethylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 207.15 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136802785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).