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

C8H11F2N3O — CID 164654754

IUPAC4-(2,2-difluorobutylamino)-1H-pyrimidin-6-one
SMILESCCC(F)(F)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H11F2N3O/c1-2-8(9,10)4-11-6-3-7(14)13-5-12-6/h3,5H,2,4H2,1H3,(H2,11,12,13,14)
InChIKeyDEWJGRPTEJSXDK-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.23
Rot. Bonds4

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

4-(2,2-difluorobutylamino)-1H-pyrimidin-6-one (PubChem CID 164654754) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 4-(2,2-difluorobutylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,2-difluorobutylamino)-1H-pyrimidin-6-one
PubChem CID164654754
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name4-(2,2-difluorobutylamino)-1H-pyrimidin-6-one
SMILESCCC(F)(F)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H11F2N3O/c1-2-8(9,10)4-11-6-3-7(14)13-5-12-6/h3,5H,2,4H2,1H3,(H2,11,12,13,14)
InChIKeyDEWJGRPTEJSXDK-UHFFFAOYSA-N
XLogP1.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Propylamino)-6-(trifluoromethyl)pyrimidin-4-ol
CID 136388272
4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
4-fluoro-2-(propylamino)-1H-pyrimidin-6-one
CID 166556696
2-Amino-6-(butylamino)pyrimidin-4(3H)-one
CID 135408602
4-(Ethylamino)-6-hydroxypyrimidine
CID 135577485
2-(Butylamino)-6-(trifluoromethyl)pyrimidin-4-ol
CID 136388276
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
4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736694
5-iodo-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786690
4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786693
4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802783

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluorobutylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,2-difluorobutylamino)-1H-pyrimidin-6-one (CID 164654754) is 4-(2,2-difluorobutylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,2-difluorobutylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,2-difluorobutylamino)-1H-pyrimidin-6-one is CCC(F)(F)CNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2,2-difluorobutylamino)-1H-pyrimidin-6-one?
The InChIKey is DEWJGRPTEJSXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-2-8(9,10)4-11-6-3-7(14)13-5-12-6/h3,5H,2,4H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-(2,2-difluorobutylamino)-1H-pyrimidin-6-one?
4-(2,2-difluorobutylamino)-1H-pyrimidin-6-one has a molecular weight of 203.19 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluorobutylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 164654754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).