4-(3,3-difluorobutan-2-ylamino)-1H-pyrimidin-6-one

C8H11F2N3O — CID 137269684

IUPAC4-(3,3-difluorobutan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(Nc1cc(=O)[nH]cn1)C(C)(F)F
InChIInChI=1S/C8H11F2N3O/c1-5(8(2,9)10)13-6-3-7(14)12-4-11-6/h3-5H,1-2H3,(H2,11,12,13,14)
InChIKeyBTEYUPONNDPEOZ-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.23
Rot. Bonds3

About 4-(3,3-difluorobutan-2-ylamino)-1H-pyrimidin-6-one

4-(3,3-difluorobutan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 137269684) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 4-(3,3-difluorobutan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,3-difluorobutan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID137269684
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name4-(3,3-difluorobutan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(Nc1cc(=O)[nH]cn1)C(C)(F)F
InChIInChI=1S/C8H11F2N3O/c1-5(8(2,9)10)13-6-3-7(14)12-4-11-6/h3-5H,1-2H3,(H2,11,12,13,14)
InChIKeyBTEYUPONNDPEOZ-UHFFFAOYSA-N
XLogP1.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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
4-(Ethylamino)-6-hydroxypyrimidine
CID 135577485
4-Hydroxy-2-(isopropylamino)-6-(trifluoromethyl)pyrimidine
CID 135410011
2-(butan-2-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136388259
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
2-[[(2S)-butan-2-yl]amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741329
5-chloro-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786686

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluorobutan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,3-difluorobutan-2-ylamino)-1H-pyrimidin-6-one (CID 137269684) is 4-(3,3-difluorobutan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,3-difluorobutan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,3-difluorobutan-2-ylamino)-1H-pyrimidin-6-one is CC(Nc1cc(=O)[nH]cn1)C(C)(F)F.
What is the InChIKey of 4-(3,3-difluorobutan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is BTEYUPONNDPEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-5(8(2,9)10)13-6-3-7(14)12-4-11-6/h3-5H,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-(3,3-difluorobutan-2-ylamino)-1H-pyrimidin-6-one?
4-(3,3-difluorobutan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 203.19 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluorobutan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137269684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).