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

C6H7F2N3O — CID 162778503

IUPAC2-amino-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one
SMILESCC(F)(F)c1cc(=O)[nH]c(N)n1
InChIInChI=1S/C6H7F2N3O/c1-6(7,8)3-2-4(12)11-5(9)10-3/h2H,1H3,(H3,9,10,11,12)
InChIKeyDIBBALAXPLWIAU-UHFFFAOYSA-N
MW175.14 g/mol
LogP0.46
Rot. Bonds1

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

2-amino-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one (PubChem CID 162778503) has the molecular formula C6H7F2N3O and a molecular weight of 175.14 g/mol. Its IUPAC name is 2-amino-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one
PubChem CID162778503
Molecular FormulaC6H7F2N3O
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC Name2-amino-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one
SMILESCC(F)(F)c1cc(=O)[nH]c(N)n1
InChIInChI=1S/C6H7F2N3O/c1-6(7,8)3-2-4(12)11-5(9)10-3/h2H,1H3,(H3,9,10,11,12)
InChIKeyDIBBALAXPLWIAU-UHFFFAOYSA-N
XLogP0.46
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4-hydroxy-6-trifluoromethylpyrimidine
CID 135418580
2-(Dimethylamino)-6-(trifluoromethyl)pyrimidin-4(1H)-one
CID 135472882
2-Amino-6-propylpyrimidin-4-ol
CID 135556691
Urea, (1,4-dihydro-4-oxo-6-(trifluoromethyl)-2-pyrimidinyl)-
CID 135446460
2-Amino-6-(fluoromethyl)pyrimidin-4(1h)-one
CID 135527970
2-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]guanidine
CID 136501118
2-Amino-6-isopropylpyrimidin-4-ol
CID 135631208
4-ethyl-2-fluoro-1H-pyrimidin-6-one
CID 135810240
2-(Methylamino)-6-(trifluoromethyl)pyrimidin-4-ol
CID 135829729
2-Methyl-6-pentafluoroethyl-4H-pyrimidin-4-one
CID 136043557
2-Amino-6-(difluoromethyl)pyrimidin-4-ol
CID 136176622
2-(tert-butylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136388273

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one (CID 162778503) is 2-amino-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one is CC(F)(F)c1cc(=O)[nH]c(N)n1.
What is the InChIKey of 2-amino-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one?
The InChIKey is DIBBALAXPLWIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O/c1-6(7,8)3-2-4(12)11-5(9)10-3/h2H,1H3,(H3,9,10,11,12).
What are the key properties of 2-amino-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one?
2-amino-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one has a molecular weight of 175.14 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1,1-difluoroethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 162778503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).