3-methyl-5-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid

C14H12N2O4S — CID 102685310

IUPAC3-methyl-5-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid
SMILESCc1cc(Cn2cnc3c(C)csc3c2=O)oc1C(=O)O
InChIInChI=1S/C14H12N2O4S/c1-7-3-9(20-11(7)14(18)19)4-16-6-15-10-8(2)5-21-12(10)13(16)17/h3,5-6H,4H2,1-2H3,(H,18,19)
InChIKeyFXHQRSXDRAJQBM-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.41
Rot. Bonds3

About 3-methyl-5-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid

3-methyl-5-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid (PubChem CID 102685310) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 3-methyl-5-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid
PubChem CID102685310
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name3-methyl-5-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid
SMILESCc1cc(Cn2cnc3c(C)csc3c2=O)oc1C(=O)O
InChIInChI=1S/C14H12N2O4S/c1-7-3-9(20-11(7)14(18)19)4-16-6-15-10-8(2)5-21-12(10)13(16)17/h3,5-6H,4H2,1-2H3,(H,18,19)
InChIKeyFXHQRSXDRAJQBM-UHFFFAOYSA-N
XLogP2.41
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

3-methyl-5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid
CID 43620970
3-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid
CID 102685307
3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685812
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685671
3-[(5-chlorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39804649
7-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 102685782
7-methyl-3-(3-methyl-2-oxobutyl)thieno[3,2-d]pyrimidin-4-one
CID 102685394
3-(4-chlorobutyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685321
7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 102685602
5-[(5,6-difluorobenzimidazol-1-yl)methyl]-3-methylfuran-2-carboxylic acid
CID 43620983
7-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 135891005
3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685714

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid (CID 102685310) is 3-methyl-5-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid is Cc1cc(Cn2cnc3c(C)csc3c2=O)oc1C(=O)O.
What is the InChIKey of 3-methyl-5-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid?
The InChIKey is FXHQRSXDRAJQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-7-3-9(20-11(7)14(18)19)4-16-6-15-10-8(2)5-21-12(10)13(16)17/h3,5-6H,4H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-5-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid?
3-methyl-5-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid has a molecular weight of 304.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 102685310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).