N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-yl-4-thiomorpholin-4-ylthieno[2,3-d]pyrimidine-5-carboxamide

C24H24N6O2S2 — CID 137429684

IUPACN-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-yl-4-thiomorpholin-4-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCSCC4)c23)cn1
InChIInChI=1S/C24H24N6O2S2/c1-32-19-6-5-16(14-27-19)7-9-26-23(31)17-15-34-24-20(17)22(30-10-12-33-13-11-30)28-21(29-24)18-4-2-3-8-25-18/h2-6,8,14-15H,7,9-13H2,1H3,(H,26,31)
InChIKeyKOHLJHNTFTYMCH-UHFFFAOYSA-N
MW492.63 g/mol
LogP3.68
Rot. Bonds7

About N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-yl-4-thiomorpholin-4-ylthieno[2,3-d]pyrimidine-5-carboxamide

N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-yl-4-thiomorpholin-4-ylthieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 137429684) has the molecular formula C24H24N6O2S2 and a molecular weight of 492.63 g/mol. Its IUPAC name is N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-yl-4-thiomorpholin-4-ylthieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-yl-4-thiomorpholin-4-ylthieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID137429684
Molecular FormulaC24H24N6O2S2
Molecular Weight492.63 g/mol
Exact Mass492.14
IUPAC NameN-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-yl-4-thiomorpholin-4-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCSCC4)c23)cn1
InChIInChI=1S/C24H24N6O2S2/c1-32-19-6-5-16(14-27-19)7-9-26-23(31)17-15-34-24-20(17)22(30-10-12-33-13-11-30)28-21(29-24)18-4-2-3-8-25-18/h2-6,8,14-15H,7,9-13H2,1H3,(H,26,31)
InChIKeyKOHLJHNTFTYMCH-UHFFFAOYSA-N
XLogP3.68
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.63
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-yl-4-thiomorpholin-4-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-yl-4-thiomorpholin-4-ylthieno[2,3-d]pyrimidine-5-carboxamide (CID 137429684) is N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-yl-4-thiomorpholin-4-ylthieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-yl-4-thiomorpholin-4-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-yl-4-thiomorpholin-4-ylthieno[2,3-d]pyrimidine-5-carboxamide is COc1ccc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCSCC4)c23)cn1.
What is the InChIKey of N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-yl-4-thiomorpholin-4-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is KOHLJHNTFTYMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2S2/c1-32-19-6-5-16(14-27-19)7-9-26-23(31)17-15-34-24-20(17)22(30-10-12-33-13-11-30)28-21(29-24)18-4-2-3-8-25-18/h2-6,8,14-15H,7,9-13H2,1H3,(H,26,31).
What are the key properties of N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-yl-4-thiomorpholin-4-ylthieno[2,3-d]pyrimidine-5-carboxamide?
N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-yl-4-thiomorpholin-4-ylthieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 492.63 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-yl-4-thiomorpholin-4-ylthieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 137429684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).