4-methyl-2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one

C8H14N2O — CID 123907686

IUPAC4-methyl-2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC1CC(=O)NC(C(C)C)=N1
InChIInChI=1S/C8H14N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h5-6H,4H2,1-3H3,(H,9,10,11)
InChIKeySJDGZALCLPVTMF-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.95
Rot. Bonds1

About 4-methyl-2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one

4-methyl-2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 123907686) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID123907686
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4-methyl-2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC1CC(=O)NC(C(C)C)=N1
InChIInChI=1S/C8H14N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h5-6H,4H2,1-3H3,(H,9,10,11)
InChIKeySJDGZALCLPVTMF-UHFFFAOYSA-N
XLogP0.95
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

cis-(1S,2S)-2-fluoro-N-(C-methyl-N-propan-2-ylcarbonimidoyl)cyclopropane-1-carboxamide
CID 167023174
2-(1-amino-2-methylpropyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550695
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-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 22898627
2,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 55287748
2,5-diethyl-1H-pyrimidine-4,6-dione
CID 58730533
2-tert-butyl-4,5-dihydro-1H-pyrimidin-6-one
CID 59765868
2-tert-butyl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 59765878
2-ethyl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 68346425
2-ethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 69298206
2-Ethyl-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 70091245

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one (CID 123907686) is 4-methyl-2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one is CC1CC(=O)NC(C(C)C)=N1.
What is the InChIKey of 4-methyl-2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is SJDGZALCLPVTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h5-6H,4H2,1-3H3,(H,9,10,11).
What are the key properties of 4-methyl-2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one?
4-methyl-2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 154.21 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 123907686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).