4-amino-2-(1,3-oxazol-2-yl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide

C16H12N6O2S — CID 45275626

IUPAC4-amino-2-(1,3-oxazol-2-yl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNc1nc(-c2ncco2)nc2sc(C(=O)NCc3ccccn3)cc12
InChIInChI=1S/C16H12N6O2S/c17-12-10-7-11(14(23)20-8-9-3-1-2-4-18-9)25-16(10)22-13(21-12)15-19-5-6-24-15/h1-7H,8H2,(H,20,23)(H2,17,21,22)
InChIKeyAJEBVVDOJQUUBQ-UHFFFAOYSA-N
MW352.38 g/mol
LogP2.25
Rot. Bonds4

About 4-amino-2-(1,3-oxazol-2-yl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide

4-amino-2-(1,3-oxazol-2-yl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 45275626) has the molecular formula C16H12N6O2S and a molecular weight of 352.38 g/mol. Its IUPAC name is 4-amino-2-(1,3-oxazol-2-yl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-amino-2-(1,3-oxazol-2-yl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID45275626
Molecular FormulaC16H12N6O2S
Molecular Weight352.38 g/mol
Exact Mass352.07
IUPAC Name4-amino-2-(1,3-oxazol-2-yl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNc1nc(-c2ncco2)nc2sc(C(=O)NCc3ccccn3)cc12
InChIInChI=1S/C16H12N6O2S/c17-12-10-7-11(14(23)20-8-9-3-1-2-4-18-9)25-16(10)22-13(21-12)15-19-5-6-24-15/h1-7H,8H2,(H,20,23)(H2,17,21,22)
InChIKeyAJEBVVDOJQUUBQ-UHFFFAOYSA-N
XLogP2.25
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1,3-oxazol-2-yl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-amino-2-(1,3-oxazol-2-yl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 45275626) is 4-amino-2-(1,3-oxazol-2-yl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-amino-2-(1,3-oxazol-2-yl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-amino-2-(1,3-oxazol-2-yl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide is Nc1nc(-c2ncco2)nc2sc(C(=O)NCc3ccccn3)cc12.
What is the InChIKey of 4-amino-2-(1,3-oxazol-2-yl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is AJEBVVDOJQUUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2S/c17-12-10-7-11(14(23)20-8-9-3-1-2-4-18-9)25-16(10)22-13(21-12)15-19-5-6-24-15/h1-7H,8H2,(H,20,23)(H2,17,21,22).
What are the key properties of 4-amino-2-(1,3-oxazol-2-yl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
4-amino-2-(1,3-oxazol-2-yl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 352.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1,3-oxazol-2-yl)-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 45275626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).