N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

C23H23N7O3S — CID 137429808

IUPACN-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ncc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)cn1
InChIInChI=1S/C23H23N7O3S/c1-32-23-26-12-15(13-27-23)5-7-25-21(31)16-14-34-22-18(16)20(30-8-10-33-11-9-30)28-19(29-22)17-4-2-3-6-24-17/h2-4,6,12-14H,5,7-11H2,1H3,(H,25,31)
InChIKeyXBTSHIVNSJXNGC-UHFFFAOYSA-N
MW477.55 g/mol
LogP2.36
Rot. Bonds7

About N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 137429808) has the molecular formula C23H23N7O3S and a molecular weight of 477.55 g/mol. Its IUPAC name is N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID137429808
Molecular FormulaC23H23N7O3S
Molecular Weight477.55 g/mol
Exact Mass477.16
IUPAC NameN-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ncc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)cn1
InChIInChI=1S/C23H23N7O3S/c1-32-23-26-12-15(13-27-23)5-7-25-21(31)16-14-34-22-18(16)20(30-8-10-33-11-9-30)28-19(29-22)17-4-2-3-6-24-17/h2-4,6,12-14H,5,7-11H2,1H3,(H,25,31)
InChIKeyXBTSHIVNSJXNGC-UHFFFAOYSA-N
XLogP2.36
TPSA115.25 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (CID 137429808) is N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is COc1ncc(CCNC(=O)c2csc3nc(-c4ccccn4)nc(N4CCOCC4)c23)cn1.
What is the InChIKey of N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is XBTSHIVNSJXNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3S/c1-32-23-26-12-15(13-27-23)5-7-25-21(31)16-14-34-22-18(16)20(30-8-10-33-11-9-30)28-19(29-22)17-4-2-3-6-24-17/h2-4,6,12-14H,5,7-11H2,1H3,(H,25,31).
What are the key properties of N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 477.55 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxypyrimidin-5-yl)ethyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 137429808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).