4-[2,2-difluoroethyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one

C8H11F2N3O — CID 136958116

IUPAC4-[2,2-difluoroethyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)CC(F)F)cc(=O)[nH]1
InChIInChI=1S/C8H11F2N3O/c1-5-11-7(3-8(14)12-5)13(2)4-6(9)10/h3,6H,4H2,1-2H3,(H,11,12,14)
InChIKeyYAVOLTHNPATQDT-UHFFFAOYSA-N
MW203.19 g/mol
LogP0.78
Rot. Bonds3

About 4-[2,2-difluoroethyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one

4-[2,2-difluoroethyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136958116) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 4-[2,2-difluoroethyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2,2-difluoroethyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136958116
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name4-[2,2-difluoroethyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)CC(F)F)cc(=O)[nH]1
InChIInChI=1S/C8H11F2N3O/c1-5-11-7(3-8(14)12-5)13(2)4-6(9)10/h3,6H,4H2,1-2H3,(H,11,12,14)
InChIKeyYAVOLTHNPATQDT-UHFFFAOYSA-N
XLogP0.78
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136728236
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136737795
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136737800
2-ethyl-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136737802
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136737807
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

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-difluoroethyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2,2-difluoroethyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136958116) is 4-[2,2-difluoroethyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2,2-difluoroethyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2,2-difluoroethyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N(C)CC(F)F)cc(=O)[nH]1.
What is the InChIKey of 4-[2,2-difluoroethyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is YAVOLTHNPATQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-5-11-7(3-8(14)12-5)13(2)4-6(9)10/h3,6H,4H2,1-2H3,(H,11,12,14).
What are the key properties of 4-[2,2-difluoroethyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[2,2-difluoroethyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 203.19 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoroethyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136958116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).