5-methyl-4-(oxolan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid

C12H13N3O3S — CID 80713163

IUPAC5-methyl-4-(oxolan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(NC3CCOC3)c12
InChIInChI=1S/C12H13N3O3S/c1-6-8-10(15-7-2-3-18-4-7)13-5-14-11(8)19-9(6)12(16)17/h5,7H,2-4H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyOIOATEKBWNAARU-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.90
Rot. Bonds3

About 5-methyl-4-(oxolan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid

5-methyl-4-(oxolan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 80713163) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 5-methyl-4-(oxolan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(oxolan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID80713163
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name5-methyl-4-(oxolan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncnc(NC3CCOC3)c12
InChIInChI=1S/C12H13N3O3S/c1-6-8-10(15-7-2-3-18-4-7)13-5-14-11(8)19-9(6)12(16)17/h5,7H,2-4H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyOIOATEKBWNAARU-UHFFFAOYSA-N
XLogP1.90
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-4-(oxolan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,5-dimethyl-4-[[(3S)-oxolan-3-yl]amino]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 26275489
5-methyl-4-(oxolan-3-ylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45244313
4-[(3,3-dimethylcyclopentyl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 114546980
5-methyl-4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 146134508
5-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 106019702
4-[(3-methoxyphenyl)methylamino]-5-methyl-N-[(3R)-oxolan-3-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42398144
ethyl 5-methyl-4-[1-(oxan-4-yl)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 133366233
5-methyl-4-[(4-phenyloxan-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 118760154
4-[2-(2-cyclopropylpyrimidin-5-yl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 138002958
ethyl 4-[(2,6-dimethyloxan-4-yl)amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 75438022
4-[(1,1-dioxothiolan-3-yl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 118760091
4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 66240306

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(oxolan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-methyl-4-(oxolan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid (CID 80713163) is 5-methyl-4-(oxolan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(oxolan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-methyl-4-(oxolan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)sc2ncnc(NC3CCOC3)c12.
What is the InChIKey of 5-methyl-4-(oxolan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is OIOATEKBWNAARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-6-8-10(15-7-2-3-18-4-7)13-5-14-11(8)19-9(6)12(16)17/h5,7H,2-4H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 5-methyl-4-(oxolan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid?
5-methyl-4-(oxolan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 279.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(oxolan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 80713163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).