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

C15H19N3O2S — CID 3244005

IUPAC2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)O)sc2n1
InChIInChI=1S/C15H19N3O2S/c1-8-4-6-18(7-5-8)13-11-9(2)12(15(19)20)21-14(11)17-10(3)16-13/h8H,4-7H2,1-3H3,(H,19,20)
InChIKeyZAYBTAGWQGMXRC-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.24
Rot. Bonds2

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

2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 3244005) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID3244005
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)O)sc2n1
InChIInChI=1S/C15H19N3O2S/c1-8-4-6-18(7-5-8)13-11-9(2)12(15(19)20)21-14(11)17-10(3)16-13/h8H,4-7H2,1-3H3,(H,19,20)
InChIKeyZAYBTAGWQGMXRC-UHFFFAOYSA-N
XLogP3.24
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid (CID 3244005) is 2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)O)sc2n1.
What is the InChIKey of 2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is ZAYBTAGWQGMXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-8-4-6-18(7-5-8)13-11-9(2)12(15(19)20)21-14(11)17-10(3)16-13/h8H,4-7H2,1-3H3,(H,19,20).
What are the key properties of 2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid?
2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 305.40 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 3244005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).