4-(5,6-dimethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)butanoic acid

C15H20N2O3S — CID 28896745

IUPAC4-(5,6-dimethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)butanoic acid
SMILESCCCc1nc2sc(C)c(C)c2c(=O)n1CCCC(=O)O
InChIInChI=1S/C15H20N2O3S/c1-4-6-11-16-14-13(9(2)10(3)21-14)15(20)17(11)8-5-7-12(18)19/h4-8H2,1-3H3,(H,18,19)
InChIKeyDHBMMZRTTYNXIY-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.89
Rot. Bonds6

About 4-(5,6-dimethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)butanoic acid

4-(5,6-dimethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)butanoic acid (PubChem CID 28896745) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 4-(5,6-dimethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(5,6-dimethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)butanoic acid
PubChem CID28896745
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name4-(5,6-dimethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)butanoic acid
SMILESCCCc1nc2sc(C)c(C)c2c(=O)n1CCCC(=O)O
InChIInChI=1S/C15H20N2O3S/c1-4-6-11-16-14-13(9(2)10(3)21-14)15(20)17(11)8-5-7-12(18)19/h4-8H2,1-3H3,(H,18,19)
InChIKeyDHBMMZRTTYNXIY-UHFFFAOYSA-N
XLogP2.89
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-oxo-2-propyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)butanoic acid
CID 28896730
3-[6-methyl-5-(4-methylphenyl)-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl]propanoic acid
CID 28900247
3-butyl-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
CID 23411257
4-[6-carbamoyl-5-methyl-2-(naphthalen-1-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid
CID 110832590
4-[2-ethyl-5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid
CID 28896636
5,6-dimethyl-3-propyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 39112036
4-(6-carbamoyl-5-methyl-4-oxo-2-propan-2-ylthieno[2,3-d]pyrimidin-3-yl)butanoic acid
CID 28896510
3-(2-carboxyethyl)-2-(2-methoxyethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28899982
methyl 4-[5,6-dimethyl-2-(naphthalen-1-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoate
CID 110832564
3-butyl-4-oxo-2-propylthieno[2,3-d]pyrimidine-5-carboxylic acid
CID 82058891
4-[2-benzyl-5-(2,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoic acid
CID 110832799
2-[5-[3-(2-hydroxyethyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]pentyl]benzo[de]isoquinoline-1,3-dione
CID 3152025

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)butanoic acid?
The IUPAC name of 4-(5,6-dimethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)butanoic acid (CID 28896745) is 4-(5,6-dimethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)butanoic acid.
What is the SMILES notation for 4-(5,6-dimethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)butanoic acid?
The canonical SMILES for 4-(5,6-dimethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)butanoic acid is CCCc1nc2sc(C)c(C)c2c(=O)n1CCCC(=O)O.
What is the InChIKey of 4-(5,6-dimethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)butanoic acid?
The InChIKey is DHBMMZRTTYNXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-4-6-11-16-14-13(9(2)10(3)21-14)15(20)17(11)8-5-7-12(18)19/h4-8H2,1-3H3,(H,18,19).
What are the key properties of 4-(5,6-dimethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)butanoic acid?
4-(5,6-dimethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)butanoic acid has a molecular weight of 308.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)butanoic acid is sourced from PubChem (CID 28896745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).