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

C7H9F2N3O — CID 136957012

IUPAC4-(2,2-difluoroethylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCC(F)F)cc(=O)[nH]1
InChIInChI=1S/C7H9F2N3O/c1-4-11-6(2-7(13)12-4)10-3-5(8)9/h2,5H,3H2,1H3,(H2,10,11,12,13)
InChIKeyMEFCYPUWWQEHLR-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.76
Rot. Bonds3

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

4-(2,2-difluoroethylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136957012) has the molecular formula C7H9F2N3O and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-(2,2-difluoroethylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,2-difluoroethylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136957012
Molecular FormulaC7H9F2N3O
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name4-(2,2-difluoroethylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCC(F)F)cc(=O)[nH]1
InChIInChI=1S/C7H9F2N3O/c1-4-11-6(2-7(13)12-4)10-3-5(8)9/h2,5H,3H2,1H3,(H2,10,11,12,13)
InChIKeyMEFCYPUWWQEHLR-UHFFFAOYSA-N
XLogP0.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Difluoromethyl)pyrimidin-4-OL
CID 131028808
2-Methyl-6-(methylamino)-4-pyrimidinol
CID 135577483
4-(difluoromethyl)-2-(methylaminomethyl)-1H-pyrimidin-6-one
CID 136103145
2-(methylaminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136103160
2-(ethylaminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136103352
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

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,2-difluoroethylamino)-2-methyl-1H-pyrimidin-6-one (CID 136957012) is 4-(2,2-difluoroethylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,2-difluoroethylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,2-difluoroethylamino)-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCC(F)F)cc(=O)[nH]1.
What is the InChIKey of 4-(2,2-difluoroethylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is MEFCYPUWWQEHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c1-4-11-6(2-7(13)12-4)10-3-5(8)9/h2,5H,3H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-(2,2-difluoroethylamino)-2-methyl-1H-pyrimidin-6-one?
4-(2,2-difluoroethylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 189.17 g/mol, XLogP of 0.76, 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)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136957012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).