4-(5-methylthiophen-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one

C12H14N2OS — CID 136769330

IUPAC4-(5-methylthiophen-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1cc(-c2cc(=O)[nH]c(C(C)C)n2)cs1
InChIInChI=1S/C12H14N2OS/c1-7(2)12-13-10(5-11(15)14-12)9-4-8(3)16-6-9/h4-7H,1-3H3,(H,13,14,15)
InChIKeyCXQBJAOSLNBPBM-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.93
Rot. Bonds2

About 4-(5-methylthiophen-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(5-methylthiophen-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136769330) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-(5-methylthiophen-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-methylthiophen-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136769330
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name4-(5-methylthiophen-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1cc(-c2cc(=O)[nH]c(C(C)C)n2)cs1
InChIInChI=1S/C12H14N2OS/c1-7(2)12-13-10(5-11(15)14-12)9-4-8(3)16-6-9/h4-7H,1-3H3,(H,13,14,15)
InChIKeyCXQBJAOSLNBPBM-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-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136955436
4-(furan-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136883191
3-(5-methylthiophen-3-yl)-1H-pyridazin-6-one
CID 106518542
4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one
CID 175903663
4-(3-fluoro-2-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769751
4-(2,6-difluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769942
4-(3-cyclopropyloxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770300
4-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136883194
4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769281
4-(2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691878
4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 135506238
4-(2-chloro-4-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136955703

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-methylthiophen-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136769330) is 4-(5-methylthiophen-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-methylthiophen-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-methylthiophen-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one is Cc1cc(-c2cc(=O)[nH]c(C(C)C)n2)cs1.
What is the InChIKey of 4-(5-methylthiophen-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is CXQBJAOSLNBPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-7(2)12-13-10(5-11(15)14-12)9-4-8(3)16-6-9/h4-7H,1-3H3,(H,13,14,15).
What are the key properties of 4-(5-methylthiophen-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(5-methylthiophen-3-yl)-2-propan-2-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 4-(5-methylthiophen-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136769330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).