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

C13H16N2OS — CID 136955760

IUPAC5-methyl-4-(2-methylthiophen-3-yl)-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2ccsc2C)c(C)c(=O)[nH]1
InChIInChI=1S/C13H16N2OS/c1-4-5-11-14-12(8(2)13(16)15-11)10-6-7-17-9(10)3/h6-7H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyJFNUICWDYMAXFS-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.07
Rot. Bonds3

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

5-methyl-4-(2-methylthiophen-3-yl)-2-propyl-1H-pyrimidin-6-one (PubChem CID 136955760) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 5-methyl-4-(2-methylthiophen-3-yl)-2-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-4-(2-methylthiophen-3-yl)-2-propyl-1H-pyrimidin-6-one
PubChem CID136955760
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name5-methyl-4-(2-methylthiophen-3-yl)-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2ccsc2C)c(C)c(=O)[nH]1
InChIInChI=1S/C13H16N2OS/c1-4-5-11-14-12(8(2)13(16)15-11)10-6-7-17-9(10)3/h6-7H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyJFNUICWDYMAXFS-UHFFFAOYSA-N
XLogP3.07
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methylthiophen-3-yl)-2-propyl-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-4-(2-methylthiophen-3-yl)-2-propyl-1H-pyrimidin-6-one (CID 136955760) is 5-methyl-4-(2-methylthiophen-3-yl)-2-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-4-(2-methylthiophen-3-yl)-2-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-4-(2-methylthiophen-3-yl)-2-propyl-1H-pyrimidin-6-one is CCCc1nc(-c2ccsc2C)c(C)c(=O)[nH]1.
What is the InChIKey of 5-methyl-4-(2-methylthiophen-3-yl)-2-propyl-1H-pyrimidin-6-one?
The InChIKey is JFNUICWDYMAXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-4-5-11-14-12(8(2)13(16)15-11)10-6-7-17-9(10)3/h6-7H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of 5-methyl-4-(2-methylthiophen-3-yl)-2-propyl-1H-pyrimidin-6-one?
5-methyl-4-(2-methylthiophen-3-yl)-2-propyl-1H-pyrimidin-6-one has a molecular weight of 248.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methylthiophen-3-yl)-2-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136955760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).