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

C8H14N2O2 — CID 138461649

IUPAC3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one
SMILESCC(C)(C)N1C=CC(=O)NC1O
InChIInChI=1S/C8H14N2O2/c1-8(2,3)10-5-4-6(11)9-7(10)12/h4-5,7,12H,1-3H3,(H,9,11)
InChIKeyBRDCHDKXHDUHGF-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.01
Rot. Bonds

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

3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one (PubChem CID 138461649) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one.

Molecular Properties

Compound Name3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one
PubChem CID138461649
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one
SMILESCC(C)(C)N1C=CC(=O)NC1O
InChIInChI=1S/C8H14N2O2/c1-8(2,3)10-5-4-6(11)9-7(10)12/h4-5,7,12H,1-3H3,(H,9,11)
InChIKeyBRDCHDKXHDUHGF-UHFFFAOYSA-N
XLogP0.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Tert-butyl-5-fluoro-2-hydroxy-1,2-dihydropyrimidin-6-one
CID 146210252
3-(tert-Butyl)pyrimidine-2,4(1H,3H)-dione
CID 2412606
1-Tert-butyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 13705431
2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one
CID 19758212
2-Hydroxy-3-methyl-1,2-dihydropyrimidin-4-one
CID 21115610
2-Hydroxy-6-oxo-1,2-dihydropyrimidine-3-carbonitrile
CID 21699318
1-(1-Hydroxyethyl)pyrimidine-2,4-dione
CID 23431606
2-Hydroxy-3-methyl-1,2-dihydropyrimidin-6-one
CID 44365734
1-Tert-butyl-2-methylidenepyrimidin-4-one
CID 58226900
2-Hydroxy-3-pentan-3-yl-1,2-dihydropyrimidin-6-one
CID 90854752
2-Hydroxy-3-propan-2-yl-1,2-dihydropyrimidin-6-one
CID 123660651
3-(Dimethylamino)-2-hydroxy-1,2-dihydropyrimidin-6-one
CID 123857040

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one?
The IUPAC name of 3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one (CID 138461649) is 3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one.
What is the SMILES notation for 3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one?
The canonical SMILES for 3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one is CC(C)(C)N1C=CC(=O)NC1O.
What is the InChIKey of 3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one?
The InChIKey is BRDCHDKXHDUHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-8(2,3)10-5-4-6(11)9-7(10)12/h4-5,7,12H,1-3H3,(H,9,11).
What are the key properties of 3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one?
3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one has a molecular weight of 170.21 g/mol, XLogP of 0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one is sourced from PubChem (CID 138461649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).