3-tert-butyl-5-fluoro-2-hydroxy-1,2-dihydropyrimidin-6-one

C8H13FN2O2 — CID 146210252

IUPAC3-tert-butyl-5-fluoro-2-hydroxy-1,2-dihydropyrimidin-6-one
SMILESCC(C)(C)N1C=C(F)C(=O)NC1O
InChIInChI=1S/C8H13FN2O2/c1-8(2,3)11-4-5(9)6(12)10-7(11)13/h4,7,13H,1-3H3,(H,10,12)
InChIKeyUCBKUGYEMCIBED-UHFFFAOYSA-N
MW188.20 g/mol
LogP0.30
Rot. Bonds

About 3-tert-butyl-5-fluoro-2-hydroxy-1,2-dihydropyrimidin-6-one

3-tert-butyl-5-fluoro-2-hydroxy-1,2-dihydropyrimidin-6-one (PubChem CID 146210252) has the molecular formula C8H13FN2O2 and a molecular weight of 188.20 g/mol. Its IUPAC name is 3-tert-butyl-5-fluoro-2-hydroxy-1,2-dihydropyrimidin-6-one.

Molecular Properties

Compound Name3-tert-butyl-5-fluoro-2-hydroxy-1,2-dihydropyrimidin-6-one
PubChem CID146210252
Molecular FormulaC8H13FN2O2
Molecular Weight188.20 g/mol
Exact Mass188.10
IUPAC Name3-tert-butyl-5-fluoro-2-hydroxy-1,2-dihydropyrimidin-6-one
SMILESCC(C)(C)N1C=C(F)C(=O)NC1O
InChIInChI=1S/C8H13FN2O2/c1-8(2,3)11-4-5(9)6(12)10-7(11)13/h4,7,13H,1-3H3,(H,10,12)
InChIKeyUCBKUGYEMCIBED-UHFFFAOYSA-N
XLogP0.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1(2H)-Pyrimidinecarboxamide, N-(1,1-dimethylethyl)-5-fluoro-3,4-dihydro-2,4-dioxo-
CID 152077
5-fluoro-2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one
CID 53316422
1-Tert-butyl-5-fluoropyrimidine-2,4-dione
CID 59877087
3-tert-butyl-5-fluoro-1H-pyrimidine-2,4-dione
CID 118593269
1-[(Tert-butylamino)methyl]-5-fluoropyrimidine-2,4-dione
CID 121459551
5-Fluoro-2-hydroxy-3-propan-2-yl-1,2-dihydropyrimidin-6-one
CID 156393813
1-(1-Amino-2-methylpropan-2-yl)-5-fluoropyrimidine-2,4-dione
CID 104523280
2-Hydroxy-3-methyl-1,2-dihydropyrimidin-4-one
CID 21115610
2-Hydroxy-3,5-dimethyl-1,2-dihydropyrimidin-6-one
CID 22117647
3-Acetyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one
CID 22364295
3-Tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one
CID 138461649
3-Tert-butyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one
CID 138461650

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-fluoro-2-hydroxy-1,2-dihydropyrimidin-6-one?
The IUPAC name of 3-tert-butyl-5-fluoro-2-hydroxy-1,2-dihydropyrimidin-6-one (CID 146210252) is 3-tert-butyl-5-fluoro-2-hydroxy-1,2-dihydropyrimidin-6-one.
What is the SMILES notation for 3-tert-butyl-5-fluoro-2-hydroxy-1,2-dihydropyrimidin-6-one?
The canonical SMILES for 3-tert-butyl-5-fluoro-2-hydroxy-1,2-dihydropyrimidin-6-one is CC(C)(C)N1C=C(F)C(=O)NC1O.
What is the InChIKey of 3-tert-butyl-5-fluoro-2-hydroxy-1,2-dihydropyrimidin-6-one?
The InChIKey is UCBKUGYEMCIBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O2/c1-8(2,3)11-4-5(9)6(12)10-7(11)13/h4,7,13H,1-3H3,(H,10,12).
What are the key properties of 3-tert-butyl-5-fluoro-2-hydroxy-1,2-dihydropyrimidin-6-one?
3-tert-butyl-5-fluoro-2-hydroxy-1,2-dihydropyrimidin-6-one has a molecular weight of 188.20 g/mol, XLogP of 0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-fluoro-2-hydroxy-1,2-dihydropyrimidin-6-one is sourced from PubChem (CID 146210252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).