5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

C23H29N7O2S — CID 6617039

IUPAC5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2)sc2ncnc(N3CCN(c4ccccn4)CC3)c12
InChIInChI=1S/C23H29N7O2S/c1-17-19-21(30-10-8-29(9-11-30)18-4-2-3-5-24-18)26-16-27-23(19)33-20(17)22(31)25-6-7-28-12-14-32-15-13-28/h2-5,16H,6-15H2,1H3,(H,25,31)
InChIKeyRMBQBDQPPCCDSF-UHFFFAOYSA-N
MW467.60 g/mol
LogP1.78
Rot. Bonds6

About 5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 6617039) has the molecular formula C23H29N7O2S and a molecular weight of 467.60 g/mol. Its IUPAC name is 5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID6617039
Molecular FormulaC23H29N7O2S
Molecular Weight467.60 g/mol
Exact Mass467.21
IUPAC Name5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCN2CCOCC2)sc2ncnc(N3CCN(c4ccccn4)CC3)c12
InChIInChI=1S/C23H29N7O2S/c1-17-19-21(30-10-8-29(9-11-30)18-4-2-3-5-24-18)26-16-27-23(19)33-20(17)22(31)25-6-7-28-12-14-32-15-13-28/h2-5,16H,6-15H2,1H3,(H,25,31)
InChIKeyRMBQBDQPPCCDSF-UHFFFAOYSA-N
XLogP1.78
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 6617039) is 5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NCCN2CCOCC2)sc2ncnc(N3CCN(c4ccccn4)CC3)c12.
What is the InChIKey of 5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is RMBQBDQPPCCDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2S/c1-17-19-21(30-10-8-29(9-11-30)18-4-2-3-5-24-18)26-16-27-23(19)33-20(17)22(31)25-6-7-28-12-14-32-15-13-28/h2-5,16H,6-15H2,1H3,(H,25,31).
What are the key properties of 5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 467.60 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-morpholin-4-ylethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 6617039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).