4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

C22H21N7O3S — CID 137429670

IUPAC4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESO=C(NCCc1ccnc(=O)[nH]1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C22H21N7O3S/c30-20(24-7-4-14-5-8-25-22(31)26-14)15-13-33-21-17(15)19(29-9-11-32-12-10-29)27-18(28-21)16-3-1-2-6-23-16/h1-3,5-6,8,13H,4,7,9-12H2,(H,24,30)(H,25,26,31)
InChIKeyMQTVLYSEWJBRBZ-UHFFFAOYSA-N
MW463.52 g/mol
LogP1.65
Rot. Bonds6

About 4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 137429670) has the molecular formula C22H21N7O3S and a molecular weight of 463.52 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID137429670
Molecular FormulaC22H21N7O3S
Molecular Weight463.52 g/mol
Exact Mass463.14
IUPAC Name4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESO=C(NCCc1ccnc(=O)[nH]1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C22H21N7O3S/c30-20(24-7-4-14-5-8-25-22(31)26-14)15-13-33-21-17(15)19(29-9-11-32-12-10-29)27-18(28-21)16-3-1-2-6-23-16/h1-3,5-6,8,13H,4,7,9-12H2,(H,24,30)(H,25,26,31)
InChIKeyMQTVLYSEWJBRBZ-UHFFFAOYSA-N
XLogP1.65
TPSA125.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (CID 137429670) is 4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is O=C(NCCc1ccnc(=O)[nH]1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.
What is the InChIKey of 4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is MQTVLYSEWJBRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3S/c30-20(24-7-4-14-5-8-25-22(31)26-14)15-13-33-21-17(15)19(29-9-11-32-12-10-29)27-18(28-21)16-3-1-2-6-23-16/h1-3,5-6,8,13H,4,7,9-12H2,(H,24,30)(H,25,26,31).
What are the key properties of 4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 463.52 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 137429670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).