5-methyl-N-(2-pyridin-3-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide

C19H21N5OS2 — CID 53190261

IUPAC5-methyl-N-(2-pyridin-3-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide
SMILESCc1scc2nc(C(=O)NCCc3cccnc3)nc(N3CCSCC3)c12
InChIInChI=1S/C19H21N5OS2/c1-13-16-15(12-27-13)22-17(23-18(16)24-7-9-26-10-8-24)19(25)21-6-4-14-3-2-5-20-11-14/h2-3,5,11-12H,4,6-10H2,1H3,(H,21,25)
InChIKeyDEMBAIZIBDPCDH-UHFFFAOYSA-N
MW399.55 g/mol
LogP2.92
Rot. Bonds5

About 5-methyl-N-(2-pyridin-3-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide

5-methyl-N-(2-pyridin-3-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide (PubChem CID 53190261) has the molecular formula C19H21N5OS2 and a molecular weight of 399.55 g/mol. Its IUPAC name is 5-methyl-N-(2-pyridin-3-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-pyridin-3-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide
PubChem CID53190261
Molecular FormulaC19H21N5OS2
Molecular Weight399.55 g/mol
Exact Mass399.12
IUPAC Name5-methyl-N-(2-pyridin-3-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide
SMILESCc1scc2nc(C(=O)NCCc3cccnc3)nc(N3CCSCC3)c12
InChIInChI=1S/C19H21N5OS2/c1-13-16-15(12-27-13)22-17(23-18(16)24-7-9-26-10-8-24)19(25)21-6-4-14-3-2-5-20-11-14/h2-3,5,11-12H,4,6-10H2,1H3,(H,21,25)
InChIKeyDEMBAIZIBDPCDH-UHFFFAOYSA-N
XLogP2.92
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.55
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-N-(2-pyridin-3-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide with MolForge

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Related Compounds

2-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696744
2-(methylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62180569
2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 46546339
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
2-(2-aminoethyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 66388111
2-[(2-pyridin-3-ylethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66381322
4-chloro-N-(pyridin-3-ylmethyl)-6-thiomorpholin-4-yl-1,3,5-triazin-2-amine
CID 783137
2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide
CID 112605093
1-tert-butyl-6-cyclopropyl-3-methyl-N-(2-pyridin-3-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55818624
2-amino-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62072665
4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 65355277
5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 65306899

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-pyridin-3-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-pyridin-3-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide (CID 53190261) is 5-methyl-N-(2-pyridin-3-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-pyridin-3-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-pyridin-3-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide is Cc1scc2nc(C(=O)NCCc3cccnc3)nc(N3CCSCC3)c12.
What is the InChIKey of 5-methyl-N-(2-pyridin-3-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide?
The InChIKey is DEMBAIZIBDPCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS2/c1-13-16-15(12-27-13)22-17(23-18(16)24-7-9-26-10-8-24)19(25)21-6-4-14-3-2-5-20-11-14/h2-3,5,11-12H,4,6-10H2,1H3,(H,21,25).
What are the key properties of 5-methyl-N-(2-pyridin-3-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide?
5-methyl-N-(2-pyridin-3-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide has a molecular weight of 399.55 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-pyridin-3-ylethyl)-4-thiomorpholin-4-ylthieno[3,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 53190261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).