6-methyl-N-(piperidin-4-ylmethyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide

C21H26N6OS — CID 142540273

IUPAC6-methyl-N-(piperidin-4-ylmethyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCc1cc2nc(N[C@@H](C)c3cccnc3)nc(C(=O)NCC3CCNCC3)c2s1
InChIInChI=1S/C21H26N6OS/c1-13-10-17-19(29-13)18(20(28)24-11-15-5-8-22-9-6-15)27-21(26-17)25-14(2)16-4-3-7-23-12-16/h3-4,7,10,12,14-15,22H,5-6,8-9,11H2,1-2H3,(H,24,28)(H,25,26,27)/t14-/m0/s1
InChIKeyQMGZBQWOVJSEOY-AWEZNQCLSA-N
MW410.55 g/mol
LogP3.30
Rot. Bonds6

About 6-methyl-N-(piperidin-4-ylmethyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide

6-methyl-N-(piperidin-4-ylmethyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 142540273) has the molecular formula C21H26N6OS and a molecular weight of 410.55 g/mol. Its IUPAC name is 6-methyl-N-(piperidin-4-ylmethyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(piperidin-4-ylmethyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
PubChem CID142540273
Molecular FormulaC21H26N6OS
Molecular Weight410.55 g/mol
Exact Mass410.19
IUPAC Name6-methyl-N-(piperidin-4-ylmethyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCc1cc2nc(N[C@@H](C)c3cccnc3)nc(C(=O)NCC3CCNCC3)c2s1
InChIInChI=1S/C21H26N6OS/c1-13-10-17-19(29-13)18(20(28)24-11-15-5-8-22-9-6-15)27-21(26-17)25-14(2)16-4-3-7-23-12-16/h3-4,7,10,12,14-15,22H,5-6,8-9,11H2,1-2H3,(H,24,28)(H,25,26,27)/t14-/m0/s1
InChIKeyQMGZBQWOVJSEOY-AWEZNQCLSA-N
XLogP3.30
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(piperidin-4-ylmethyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-(piperidin-4-ylmethyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide (CID 142540273) is 6-methyl-N-(piperidin-4-ylmethyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(piperidin-4-ylmethyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-(piperidin-4-ylmethyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide is Cc1cc2nc(N[C@@H](C)c3cccnc3)nc(C(=O)NCC3CCNCC3)c2s1.
What is the InChIKey of 6-methyl-N-(piperidin-4-ylmethyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is QMGZBQWOVJSEOY-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H26N6OS/c1-13-10-17-19(29-13)18(20(28)24-11-15-5-8-22-9-6-15)27-21(26-17)25-14(2)16-4-3-7-23-12-16/h3-4,7,10,12,14-15,22H,5-6,8-9,11H2,1-2H3,(H,24,28)(H,25,26,27)/t14-/m0/s1.
What are the key properties of 6-methyl-N-(piperidin-4-ylmethyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide?
6-methyl-N-(piperidin-4-ylmethyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 410.55 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(piperidin-4-ylmethyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 142540273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).