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

C9H16N2O — CID 59765878

IUPAC2-tert-butyl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC1CC(=O)NC(C(C)(C)C)=N1
InChIInChI=1S/C9H16N2O/c1-6-5-7(12)11-8(10-6)9(2,3)4/h6H,5H2,1-4H3,(H,10,11,12)
InChIKeyJDVOSLLHXTWCQV-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.34
Rot. Bonds

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

2-tert-butyl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 59765878) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID59765878
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-tert-butyl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC1CC(=O)NC(C(C)(C)C)=N1
InChIInChI=1S/C9H16N2O/c1-6-5-7(12)11-8(10-6)9(2,3)4/h6H,5H2,1-4H3,(H,10,11,12)
InChIKeyJDVOSLLHXTWCQV-UHFFFAOYSA-N
XLogP1.34
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.34
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-Butyl-5,5-dimethyl-1,4-dihydropyrimidin-6-one;hydrochloride
CID 21750206
2-Butyl-5,5-dimethyl-1,4-dihydropyrimidin-6-one
CID 21750207
2,4,5-trimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 22084610
2-tert-butyl-4,5-dihydro-1H-pyrimidin-6-one
CID 59765868
2-ethyl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 68346425
2,4-dimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 89181426
4-methyl-2-pentan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 123410253
2-butan-2-yl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 123475358
4-methyl-2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 123907686
2,4-dimethyl-4,5-dihydro-1H-pyrimidin-6-one;ethane
CID 144474072
2-butan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 164053355

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 2-tert-butyl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one (CID 59765878) is 2-tert-butyl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-tert-butyl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 2-tert-butyl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one is CC1CC(=O)NC(C(C)(C)C)=N1.
What is the InChIKey of 2-tert-butyl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is JDVOSLLHXTWCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6-5-7(12)11-8(10-6)9(2,3)4/h6H,5H2,1-4H3,(H,10,11,12).
What are the key properties of 2-tert-butyl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one?
2-tert-butyl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 168.24 g/mol, XLogP of 1.34, 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-methyl-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 59765878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).