2-(1,1-difluoropropyl)-4-hydroxy-1H-pyrimidin-6-one

C7H8F2N2O2 — CID 170641039

IUPAC2-(1,1-difluoropropyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCC(F)(F)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C7H8F2N2O2/c1-2-7(8,9)6-10-4(12)3-5(13)11-6/h3H,2H2,1H3,(H2,10,11,12,13)
InChIKeyRTYMBAWLXJMBKP-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.98
Rot. Bonds2

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

2-(1,1-difluoropropyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 170641039) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2-(1,1-difluoropropyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1,1-difluoropropyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID170641039
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name2-(1,1-difluoropropyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCC(F)(F)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C7H8F2N2O2/c1-2-7(8,9)6-10-4(12)3-5(13)11-6/h3H,2H2,1H3,(H2,10,11,12,13)
InChIKeyRTYMBAWLXJMBKP-UHFFFAOYSA-N
XLogP0.98
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Trifluoromethyl)pyrimidine-4,6-diol
CID 243103
4-hydroxy-2-pentyl-1H-pyrimidin-6-one
CID 70233802
2-Propylpyrimidine-4,6-diol
CID 12280642
AC1Ldwnn
CID 676463
2-Ethyl-4,6-dihydroxypyrimidine
CID 520836
2-tert-butyl-4-(difluoromethoxy)-1H-pyrimidin-6-one
CID 14801498
4,6-Dihydroxy-2-ethyl-5-fluoropyrimidine
CID 55275470
2-(Fluoromethyl)pyrimidine-4,6-diol
CID 59343540
2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 59343587
2-(2,2,2-Trifluoroethyl)pyrimidine-4,6-diol
CID 63613426
4-methoxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 69908735
4-hydroxy-2-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1H-pyrimidin-6-one
CID 87338046

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoropropyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1,1-difluoropropyl)-4-hydroxy-1H-pyrimidin-6-one (CID 170641039) is 2-(1,1-difluoropropyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1,1-difluoropropyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1,1-difluoropropyl)-4-hydroxy-1H-pyrimidin-6-one is CCC(F)(F)c1nc(O)cc(=O)[nH]1.
What is the InChIKey of 2-(1,1-difluoropropyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is RTYMBAWLXJMBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-2-7(8,9)6-10-4(12)3-5(13)11-6/h3H,2H2,1H3,(H2,10,11,12,13).
What are the key properties of 2-(1,1-difluoropropyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(1,1-difluoropropyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 190.15 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoropropyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 170641039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).