2-tert-butyl-4,5-dihydro-1H-pyrimidin-6-one

C8H14N2O — CID 59765868

IUPAC2-tert-butyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC(C)(C)C1=NCCC(=O)N1
InChIInChI=1S/C8H14N2O/c1-8(2,3)7-9-5-4-6(11)10-7/h4-5H2,1-3H3,(H,9,10,11)
InChIKeyAWAWTRLRSGXHSM-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.95
Rot. Bonds

About 2-tert-butyl-4,5-dihydro-1H-pyrimidin-6-one

2-tert-butyl-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 59765868) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-tert-butyl-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-tert-butyl-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID59765868
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-tert-butyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC(C)(C)C1=NCCC(=O)N1
InChIInChI=1S/C8H14N2O/c1-8(2,3)7-9-5-4-6(11)10-7/h4-5H2,1-3H3,(H,9,10,11)
InChIKeyAWAWTRLRSGXHSM-UHFFFAOYSA-N
XLogP0.95
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(C-tert-butyl-N-butylcarbonimidoyl)-2,2-dimethylpropanamide
CID 53349377
2-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 19432054
2-Butyl-5,5-dimethyl-1,4-dihydropyrimidin-6-one;hydrochloride
CID 21750206
2-Butyl-5,5-dimethyl-1,4-dihydropyrimidin-6-one
CID 21750207
2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 22898627
2,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 55287748
2-tert-butyl-1H-pyrimidine-4,6-dione
CID 58907282
2-tert-butyl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 59765878
2-ethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 69298206
2-Tert-butyl-1,4-dihydropyrimidine-5,6-dione
CID 70411574
ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 91191437
4-methyl-2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 123907686

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 2-tert-butyl-4,5-dihydro-1H-pyrimidin-6-one (CID 59765868) is 2-tert-butyl-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-tert-butyl-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 2-tert-butyl-4,5-dihydro-1H-pyrimidin-6-one is CC(C)(C)C1=NCCC(=O)N1.
What is the InChIKey of 2-tert-butyl-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is AWAWTRLRSGXHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8(2,3)7-9-5-4-6(11)10-7/h4-5H2,1-3H3,(H,9,10,11).
What are the key properties of 2-tert-butyl-4,5-dihydro-1H-pyrimidin-6-one?
2-tert-butyl-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 154.21 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 59765868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).