4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide

C22H21N7O2S — CID 137429449

IUPAC4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide
SMILESO=C(NCCc1ccncn1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C22H21N7O2S/c30-21(25-8-5-15-4-7-23-14-26-15)16-13-32-22-18(16)20(29-9-11-31-12-10-29)27-19(28-22)17-3-1-2-6-24-17/h1-4,6-7,13-14H,5,8-12H2,(H,25,30)
InChIKeyPKDYANITOSCFSQ-UHFFFAOYSA-N
MW447.52 g/mol
LogP2.35
Rot. Bonds6

About 4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide

4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 137429449) has the molecular formula C22H21N7O2S and a molecular weight of 447.52 g/mol. Its IUPAC name is 4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID137429449
Molecular FormulaC22H21N7O2S
Molecular Weight447.52 g/mol
Exact Mass447.15
IUPAC Name4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide
SMILESO=C(NCCc1ccncn1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C22H21N7O2S/c30-21(25-8-5-15-4-7-23-14-26-15)16-13-32-22-18(16)20(29-9-11-31-12-10-29)27-19(28-22)17-3-1-2-6-24-17/h1-4,6-7,13-14H,5,8-12H2,(H,25,30)
InChIKeyPKDYANITOSCFSQ-UHFFFAOYSA-N
XLogP2.35
TPSA106.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide (CID 137429449) is 4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide is O=C(NCCc1ccncn1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.
What is the InChIKey of 4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is PKDYANITOSCFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2S/c30-21(25-8-5-15-4-7-23-14-26-15)16-13-32-22-18(16)20(29-9-11-31-12-10-29)27-19(28-22)17-3-1-2-6-24-17/h1-4,6-7,13-14H,5,8-12H2,(H,25,30).
What are the key properties of 4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide?
4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 447.52 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-2-pyridin-2-yl-N-(2-pyrimidin-4-ylethyl)thieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 137429449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).