2-amino-5-(2,2-difluoroethyl)-4-methyl-1H-pyrimidin-6-one

C7H9F2N3O — CID 164907838

IUPAC2-amino-5-(2,2-difluoroethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)[nH]c(=O)c1CC(F)F
InChIInChI=1S/C7H9F2N3O/c1-3-4(2-5(8)9)6(13)12-7(10)11-3/h5H,2H2,1H3,(H3,10,11,12,13)
InChIKeyRZYPYOUMUYKUHT-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.47
Rot. Bonds2

About 2-amino-5-(2,2-difluoroethyl)-4-methyl-1H-pyrimidin-6-one

2-amino-5-(2,2-difluoroethyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 164907838) has the molecular formula C7H9F2N3O and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-amino-5-(2,2-difluoroethyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(2,2-difluoroethyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID164907838
Molecular FormulaC7H9F2N3O
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name2-amino-5-(2,2-difluoroethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)[nH]c(=O)c1CC(F)F
InChIInChI=1S/C7H9F2N3O/c1-3-4(2-5(8)9)6(13)12-7(10)11-3/h5H,2H2,1H3,(H3,10,11,12,13)
InChIKeyRZYPYOUMUYKUHT-UHFFFAOYSA-N
XLogP0.47
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-6-methyl-5-(trifluoromethyl)-4(3H)-pyrimidinone
CID 135955182
2-amino-5-ethyl-6-methylpyrimidin-4(3H)-one
CID 135431425
2-Amino-6-methyl-5-propylpyrimidin-4-ol
CID 135464007
N-(5-butyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-2,2,2-trifluoroacetamide
CID 135698484
2-Amino-5-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 136197502
2-amino-5-ethyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136328900
2-amino-4-cyclopropyl-5-(2,2-difluoroethyl)-1H-pyrimidin-6-one
CID 164908323
2-Amino-6-ethyl-5-methylpyrimidin-4-ol
CID 135431426
2-amino-5-(2-fluoroethyl)-4-methyl-1H-pyrimidin-6-one
CID 136316363
5-ethyl-4-methyl-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137232374
2-Amino-6-methyl-5-(3,3,3-trifluoropropyl)-3,4-dihydropyrimidin-4-one
CID 165601377
2-Amino-6-(2-aminoethyl)-5-(trifluoromethyl)pyrimidin-4-ol
CID 165605485

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,2-difluoroethyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(2,2-difluoroethyl)-4-methyl-1H-pyrimidin-6-one (CID 164907838) is 2-amino-5-(2,2-difluoroethyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(2,2-difluoroethyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(2,2-difluoroethyl)-4-methyl-1H-pyrimidin-6-one is Cc1nc(N)[nH]c(=O)c1CC(F)F.
What is the InChIKey of 2-amino-5-(2,2-difluoroethyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is RZYPYOUMUYKUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c1-3-4(2-5(8)9)6(13)12-7(10)11-3/h5H,2H2,1H3,(H3,10,11,12,13).
What are the key properties of 2-amino-5-(2,2-difluoroethyl)-4-methyl-1H-pyrimidin-6-one?
2-amino-5-(2,2-difluoroethyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 189.17 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,2-difluoroethyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 164907838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).