4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one

C6H7F2N3O — CID 136957014

IUPAC4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCC(F)F)nc[nH]1
InChIInChI=1S/C6H7F2N3O/c7-4(8)2-9-5-1-6(12)11-3-10-5/h1,3-4H,2H2,(H2,9,10,11,12)
InChIKeyYRWZGBRTZIBJDU-UHFFFAOYSA-N
MW175.14 g/mol
LogP0.45
Rot. Bonds3

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

4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one (PubChem CID 136957014) has the molecular formula C6H7F2N3O and a molecular weight of 175.14 g/mol. Its IUPAC name is 4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one
PubChem CID136957014
Molecular FormulaC6H7F2N3O
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC Name4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCC(F)F)nc[nH]1
InChIInChI=1S/C6H7F2N3O/c7-4(8)2-9-5-1-6(12)11-3-10-5/h1,3-4H,2H2,(H2,9,10,11,12)
InChIKeyYRWZGBRTZIBJDU-UHFFFAOYSA-N
XLogP0.45
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Amino-1H-pyrimidin-4-one
CID 135431272
4-Hydroxy-6-(trifluoromethyl)pyrimidine
CID 135458620
6-(Methylamino)pyrimidin-4-ol
CID 135481447
6-(Difluoromethyl)pyrimidin-4(1H)-one
CID 135708784
2-(ethylamino)-6-fluoro-1H-pyrimidin-4-one
CID 135506826
4-(difluoromethoxy)-1H-pyrimidin-6-one
CID 19988572
4-(trifluoromethoxy)-1H-pyrimidin-6-one
CID 90982445
4-Fluoro-6-hydroxypyrimidine
CID 135608329
4-(Ethylamino)-6-hydroxypyrimidine
CID 135577485
6-Fluoro-2-(methylamino)-4(1H)-pyrimidinone
CID 135454089
4-[2-aminoethyl(2,2-difluoroethyl)amino]-1H-pyrimidin-6-one
CID 136728230
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136728238

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one (CID 136957014) is 4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one is O=c1cc(NCC(F)F)nc[nH]1.
What is the InChIKey of 4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one?
The InChIKey is YRWZGBRTZIBJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O/c7-4(8)2-9-5-1-6(12)11-3-10-5/h1,3-4H,2H2,(H2,9,10,11,12).
What are the key properties of 4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one?
4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one has a molecular weight of 175.14 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).