5-methyl-3-(3-methylpiperidin-1-yl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid

C14H17N3O3S — CID 110278093

IUPAC5-methyl-3-(3-methylpiperidin-1-yl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncn(N3CCCC(C)C3)c(=O)c12
InChIInChI=1S/C14H17N3O3S/c1-8-4-3-5-16(6-8)17-7-15-12-10(13(17)18)9(2)11(21-12)14(19)20/h7-8H,3-6H2,1-2H3,(H,19,20)
InChIKeyWJFQZOCLSHUEBB-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.83
Rot. Bonds2

About 5-methyl-3-(3-methylpiperidin-1-yl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid

5-methyl-3-(3-methylpiperidin-1-yl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 110278093) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 5-methyl-3-(3-methylpiperidin-1-yl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-(3-methylpiperidin-1-yl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID110278093
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name5-methyl-3-(3-methylpiperidin-1-yl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncn(N3CCCC(C)C3)c(=O)c12
InChIInChI=1S/C14H17N3O3S/c1-8-4-3-5-16(6-8)17-7-15-12-10(13(17)18)9(2)11(21-12)14(19)20/h7-8H,3-6H2,1-2H3,(H,19,20)
InChIKeyWJFQZOCLSHUEBB-UHFFFAOYSA-N
XLogP1.83
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-3-[(5-methyloxolan-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 103135274
3,5-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55717832
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-6-(3-methylpiperidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 3604620
6-(3,5-dimethylpiperidine-1-carbonyl)-3,5-dimethylthieno[2,3-d]pyrimidin-4-one
CID 4085132
3-(2-ethoxyethyl)-5-methyl-6-(3-methylpiperidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 4065777
3-[2-(cyclopropylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 45395953
3-(2-amino-2-oxoethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 23410239
5-methyl-3-(2-methylpropyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 23411315
5-methyl-4-oxo-3-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 110278097
N-(2,2-diethoxyethyl)-5-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 46374566
2-[5-methyl-6-(3-methylpiperidine-1-carbonyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 126479767
4,10-dimethyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxylic acid
CID 176994768

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3-methylpiperidin-1-yl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-methyl-3-(3-methylpiperidin-1-yl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid (CID 110278093) is 5-methyl-3-(3-methylpiperidin-1-yl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-methyl-3-(3-methylpiperidin-1-yl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-methyl-3-(3-methylpiperidin-1-yl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)sc2ncn(N3CCCC(C)C3)c(=O)c12.
What is the InChIKey of 5-methyl-3-(3-methylpiperidin-1-yl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is WJFQZOCLSHUEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-8-4-3-5-16(6-8)17-7-15-12-10(13(17)18)9(2)11(21-12)14(19)20/h7-8H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 5-methyl-3-(3-methylpiperidin-1-yl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid?
5-methyl-3-(3-methylpiperidin-1-yl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 307.38 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-methylpiperidin-1-yl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 110278093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).