4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide

C17H14N6O2S — CID 45275620

IUPAC4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(-c2nc(N)c3cc(C(=O)NCc4cccnc4)sc3n2)no1
InChIInChI=1S/C17H14N6O2S/c1-9-5-12(23-25-9)15-21-14(18)11-6-13(26-17(11)22-15)16(24)20-8-10-3-2-4-19-7-10/h2-7H,8H2,1H3,(H,20,24)(H2,18,21,22)
InChIKeyVMYDLDOTLFNHKE-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.56
Rot. Bonds4

About 4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide

4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 45275620) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is 4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID45275620
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC Name4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(-c2nc(N)c3cc(C(=O)NCc4cccnc4)sc3n2)no1
InChIInChI=1S/C17H14N6O2S/c1-9-5-12(23-25-9)15-21-14(18)11-6-13(26-17(11)22-15)16(24)20-8-10-3-2-4-19-7-10/h2-7H,8H2,1H3,(H,20,24)(H2,18,21,22)
InChIKeyVMYDLDOTLFNHKE-UHFFFAOYSA-N
XLogP2.56
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 45275620) is 4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1cc(-c2nc(N)c3cc(C(=O)NCc4cccnc4)sc3n2)no1.
What is the InChIKey of 4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is VMYDLDOTLFNHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c1-9-5-12(23-25-9)15-21-14(18)11-6-13(26-17(11)22-15)16(24)20-8-10-3-2-4-19-7-10/h2-7H,8H2,1H3,(H,20,24)(H2,18,21,22).
What are the key properties of 4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 366.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 45275620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).