5-methyl-2-propan-2-yl-4-thiophen-3-yl-1H-pyrimidin-6-one

C12H14N2OS — CID 136769311

IUPAC5-methyl-2-propan-2-yl-4-thiophen-3-yl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccsc2)nc(C(C)C)[nH]c1=O
InChIInChI=1S/C12H14N2OS/c1-7(2)11-13-10(8(3)12(15)14-11)9-4-5-16-6-9/h4-7H,1-3H3,(H,13,14,15)
InChIKeyYBZRZDFKTNNEDF-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.93
Rot. Bonds2

About 5-methyl-2-propan-2-yl-4-thiophen-3-yl-1H-pyrimidin-6-one

5-methyl-2-propan-2-yl-4-thiophen-3-yl-1H-pyrimidin-6-one (PubChem CID 136769311) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-4-thiophen-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-4-thiophen-3-yl-1H-pyrimidin-6-one
PubChem CID136769311
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name5-methyl-2-propan-2-yl-4-thiophen-3-yl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccsc2)nc(C(C)C)[nH]c1=O
InChIInChI=1S/C12H14N2OS/c1-7(2)11-13-10(8(3)12(15)14-11)9-4-5-16-6-9/h4-7H,1-3H3,(H,13,14,15)
InChIKeyYBZRZDFKTNNEDF-UHFFFAOYSA-N
XLogP2.93
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-dimethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691706
5-methyl-2-propan-2-yl-6-thiophen-3-yl-1H-pyrimidine-4-thione
CID 106518446
4-(3,5-dimethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769495
4-(4-ethoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691863
4-(4-cyclobutylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770174
5-methyl-2-propan-2-yl-4-(3-propylphenyl)-1H-pyrimidin-6-one
CID 136770243
4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136692391
5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyridine-3-carbonitrile
CID 136769733
4-(3-cyclopropyloxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770297
3-fluoro-5-(5-methyl-6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)benzonitrile
CID 136769392
(5-propan-2-yl-4-thiophen-3-yl-1,3-thiazol-2-yl)methanamine
CID 82106559
2,5-dimethyl-4-(4-propan-2-ylphenyl)-1H-pyrimidin-6-one
CID 136955548

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-4-thiophen-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2-propan-2-yl-4-thiophen-3-yl-1H-pyrimidin-6-one (CID 136769311) is 5-methyl-2-propan-2-yl-4-thiophen-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-propan-2-yl-4-thiophen-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-propan-2-yl-4-thiophen-3-yl-1H-pyrimidin-6-one is Cc1c(-c2ccsc2)nc(C(C)C)[nH]c1=O.
What is the InChIKey of 5-methyl-2-propan-2-yl-4-thiophen-3-yl-1H-pyrimidin-6-one?
The InChIKey is YBZRZDFKTNNEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-7(2)11-13-10(8(3)12(15)14-11)9-4-5-16-6-9/h4-7H,1-3H3,(H,13,14,15).
What are the key properties of 5-methyl-2-propan-2-yl-4-thiophen-3-yl-1H-pyrimidin-6-one?
5-methyl-2-propan-2-yl-4-thiophen-3-yl-1H-pyrimidin-6-one has a molecular weight of 234.32 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-4-thiophen-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136769311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).