6-methyl-2-propyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

C14H14N2OS2 — CID 28868465

IUPAC6-methyl-2-propyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCCc1nc2sc(C)c(-c3cccs3)c2c(=O)[nH]1
InChIInChI=1S/C14H14N2OS2/c1-3-5-10-15-13(17)12-11(9-6-4-7-18-9)8(2)19-14(12)16-10/h4,6-7H,3,5H2,1-2H3,(H,15,16,17)
InChIKeyKIMBRSXUYAXXRA-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.97
Rot. Bonds3

About 6-methyl-2-propyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

6-methyl-2-propyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 28868465) has the molecular formula C14H14N2OS2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-methyl-2-propyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-propyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID28868465
Molecular FormulaC14H14N2OS2
Molecular Weight290.41 g/mol
Exact Mass290.05
IUPAC Name6-methyl-2-propyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCCc1nc2sc(C)c(-c3cccs3)c2c(=O)[nH]1
InChIInChI=1S/C14H14N2OS2/c1-3-5-10-15-13(17)12-11(9-6-4-7-18-9)8(2)19-14(12)16-10/h4,6-7H,3,5H2,1-2H3,(H,15,16,17)
InChIKeyKIMBRSXUYAXXRA-UHFFFAOYSA-N
XLogP3.97
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromoethyl)-6-methyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82065026
6-methyl-2-pyridin-2-yl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28888998
6-methyl-5-(4-methylphenyl)-2-(thiophen-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 78838459
2,2-dimethyl-3-[(6-methyl-4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoic acid
CID 28897942
2-(hydroxymethyl)-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 167800748
2-(2-ethyl-6-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28898774
2-(2-bromoethyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82065049
6-methyl-5-(4-methylphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 16612838
5-(3,4-dichlorophenyl)-6-ethyl-2-propyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868484
5-methyl-4-(2-methylthiophen-3-yl)-2-propyl-1H-pyrimidin-6-one
CID 136955760
2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 47000740
5-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 52553850

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-propyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 28868465) is 6-methyl-2-propyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-propyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-propyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is CCCc1nc2sc(C)c(-c3cccs3)c2c(=O)[nH]1.
What is the InChIKey of 6-methyl-2-propyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is KIMBRSXUYAXXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS2/c1-3-5-10-15-13(17)12-11(9-6-4-7-18-9)8(2)19-14(12)16-10/h4,6-7H,3,5H2,1-2H3,(H,15,16,17).
What are the key properties of 6-methyl-2-propyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
6-methyl-2-propyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 290.41 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propyl-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 28868465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).