2-ethyl-4-(2-fluoroethylamino)-1H-pyrimidin-6-one

C8H12FN3O — CID 137262841

IUPAC2-ethyl-4-(2-fluoroethylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NCCF)cc(=O)[nH]1
InChIInChI=1S/C8H12FN3O/c1-2-6-11-7(10-4-3-9)5-8(13)12-6/h5H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyISJCHYTYAIFENG-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.71
Rot. Bonds4

About 2-ethyl-4-(2-fluoroethylamino)-1H-pyrimidin-6-one

2-ethyl-4-(2-fluoroethylamino)-1H-pyrimidin-6-one (PubChem CID 137262841) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-ethyl-4-(2-fluoroethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(2-fluoroethylamino)-1H-pyrimidin-6-one
PubChem CID137262841
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name2-ethyl-4-(2-fluoroethylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NCCF)cc(=O)[nH]1
InChIInChI=1S/C8H12FN3O/c1-2-6-11-7(10-4-3-9)5-8(13)12-6/h5H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyISJCHYTYAIFENG-UHFFFAOYSA-N
XLogP0.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-(propylamino)-1H-pyrimidin-6-one
CID 166556696
2-Methyl-6-(methylamino)-4-pyrimidinol
CID 135577483
2-(2-fluoropropyl)-1H-pyrimidin-6-one
CID 119089180
2-[2-(methylamino)ethyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136103461
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
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136728236
2-methyl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786687
2-cyclopropyl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786691
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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-fluoroethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(2-fluoroethylamino)-1H-pyrimidin-6-one (CID 137262841) is 2-ethyl-4-(2-fluoroethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(2-fluoroethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(2-fluoroethylamino)-1H-pyrimidin-6-one is CCc1nc(NCCF)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(2-fluoroethylamino)-1H-pyrimidin-6-one?
The InChIKey is ISJCHYTYAIFENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-2-6-11-7(10-4-3-9)5-8(13)12-6/h5H,2-4H2,1H3,(H2,10,11,12,13).
What are the key properties of 2-ethyl-4-(2-fluoroethylamino)-1H-pyrimidin-6-one?
2-ethyl-4-(2-fluoroethylamino)-1H-pyrimidin-6-one has a molecular weight of 185.20 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-fluoroethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137262841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).