4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide

C19H19N9O2S — CID 137429438

IUPAC4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide
SMILESO=C(NCCc1nn[nH]n1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C19H19N9O2S/c29-18(21-6-4-14-24-26-27-25-14)12-11-31-19-15(12)17(28-7-9-30-10-8-28)22-16(23-19)13-3-1-2-5-20-13/h1-3,5,11H,4,6-10H2,(H,21,29)(H,24,25,26,27)
InChIKeyGRNAQTWYPWDAKE-UHFFFAOYSA-N
MW437.49 g/mol
LogP1.08
Rot. Bonds6

About 4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide

4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 137429438) has the molecular formula C19H19N9O2S and a molecular weight of 437.49 g/mol. Its IUPAC name is 4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID137429438
Molecular FormulaC19H19N9O2S
Molecular Weight437.49 g/mol
Exact Mass437.14
IUPAC Name4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide
SMILESO=C(NCCc1nn[nH]n1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C19H19N9O2S/c29-18(21-6-4-14-24-26-27-25-14)12-11-31-19-15(12)17(28-7-9-30-10-8-28)22-16(23-19)13-3-1-2-5-20-13/h1-3,5,11H,4,6-10H2,(H,21,29)(H,24,25,26,27)
InChIKeyGRNAQTWYPWDAKE-UHFFFAOYSA-N
XLogP1.08
TPSA134.70 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide (CID 137429438) is 4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide is O=C(NCCc1nn[nH]n1)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.
What is the InChIKey of 4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is GRNAQTWYPWDAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N9O2S/c29-18(21-6-4-14-24-26-27-25-14)12-11-31-19-15(12)17(28-7-9-30-10-8-28)22-16(23-19)13-3-1-2-5-20-13/h1-3,5,11H,4,6-10H2,(H,21,29)(H,24,25,26,27).
What are the key properties of 4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide?
4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 437.49 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-2-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 137429438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).