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

C26H30N6O4S — CID 137429614

IUPAC4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESCOCCN(CCOC)c1nc(-c2ccccn2)nc2scc(C(=O)NCCc3ccc(OC)nc3)c12
InChIInChI=1S/C26H30N6O4S/c1-34-14-12-32(13-15-35-2)24-22-19(25(33)28-11-9-18-7-8-21(36-3)29-16-18)17-37-26(22)31-23(30-24)20-6-4-5-10-27-20/h4-8,10,16-17H,9,11-15H2,1-3H3,(H,28,33)
InChIKeyLJYZJGJPDQTFGW-UHFFFAOYSA-N
MW522.63 g/mol
LogP3.23
Rot. Bonds13

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

4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 137429614) has the molecular formula C26H30N6O4S and a molecular weight of 522.63 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID137429614
Molecular FormulaC26H30N6O4S
Molecular Weight522.63 g/mol
Exact Mass522.20
IUPAC Name4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESCOCCN(CCOC)c1nc(-c2ccccn2)nc2scc(C(=O)NCCc3ccc(OC)nc3)c12
InChIInChI=1S/C26H30N6O4S/c1-34-14-12-32(13-15-35-2)24-22-19(25(33)28-11-9-18-7-8-21(36-3)29-16-18)17-37-26(22)31-23(30-24)20-6-4-5-10-27-20/h4-8,10,16-17H,9,11-15H2,1-3H3,(H,28,33)
InChIKeyLJYZJGJPDQTFGW-UHFFFAOYSA-N
XLogP3.23
TPSA111.59 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.63
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (CID 137429614) is 4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is COCCN(CCOC)c1nc(-c2ccccn2)nc2scc(C(=O)NCCc3ccc(OC)nc3)c12.
What is the InChIKey of 4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is LJYZJGJPDQTFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4S/c1-34-14-12-32(13-15-35-2)24-22-19(25(33)28-11-9-18-7-8-21(36-3)29-16-18)17-37-26(22)31-23(30-24)20-6-4-5-10-27-20/h4-8,10,16-17H,9,11-15H2,1-3H3,(H,28,33).
What are the key properties of 4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 522.63 g/mol, XLogP of 3.23, 13 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methoxyethyl)amino]-N-[2-(6-methoxy-3-pyridinyl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 137429614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).