4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one

C8H12N2O — CID 175903663

IUPAC4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one
SMILESCC(C)[13c]1n[13c](C)[13cH][13c](=O)[nH]1
InChIInChI=1S/C8H12N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h4-5H,1-3H3,(H,9,10,11)/i4+1,6+1,7+1,8+1
InChIKeyAJPIUNPJBFBUKK-PSNIJIPDSA-N
MW156.17 g/mol
LogP1.20
Rot. Bonds1

About 4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one

4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one (PubChem CID 175903663) has the molecular formula C8H12N2O and a molecular weight of 156.17 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one
PubChem CID175903663
Molecular FormulaC8H12N2O
Molecular Weight156.17 g/mol
Exact Mass156.11
IUPAC Name4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one
SMILESCC(C)[13c]1n[13c](C)[13cH][13c](=O)[nH]1
InChIInChI=1S/C8H12N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h4-5H,1-3H3,(H,9,10,11)/i4+1,6+1,7+1,8+1
InChIKeyAJPIUNPJBFBUKK-PSNIJIPDSA-N
XLogP1.20
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.17
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 136930619
4-methyl-2-[(5-methyl-2-propan-2-yl-1H-imidazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 137156542
4-(3,5-dimethylpyrazol-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137008843
2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one
CID 136997554
4-(5-methylthiophen-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769330
2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one
CID 136997551
4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 135506238
4-butyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136805670
4-azido-2-propan-2-yl-1H-pyrimidin-6-one
CID 137008927
4-methyl-2-[(1S)-1-pyrazin-2-ylsulfanylethyl]-1H-pyrimidin-6-one
CID 136833012
4-(2,6-difluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769942
1-methyl-4-[(1R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1,4-diazepan-2-one
CID 136674869

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one (CID 175903663) is 4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one is CC(C)[13c]1n[13c](C)[13cH][13c](=O)[nH]1.
What is the InChIKey of 4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one?
The InChIKey is AJPIUNPJBFBUKK-PSNIJIPDSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h4-5H,1-3H3,(H,9,10,11)/i4+1,6+1,7+1,8+1.
What are the key properties of 4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one?
4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one has a molecular weight of 156.17 g/mol, XLogP of 1.20, 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-(2,4,5,6-13C4)1H-pyrimidin-6-one is sourced from PubChem (CID 175903663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).