2-amino-N-ethyl-4-(pyridine-2-carboximidoyl)thieno[2,3-d]pyrimidine-6-carboxamide

C15H14N6OS — CID 147840934

IUPAC2-amino-N-ethyl-4-(pyridine-2-carboximidoyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILES[H]/N=C(\c1ccccn1)c1nc(N)nc2sc(C(=O)NCC)cc12
InChIInChI=1S/C15H14N6OS/c1-2-18-13(22)10-7-8-12(20-15(17)21-14(8)23-10)11(16)9-5-3-4-6-19-9/h3-7,16H,2H2,1H3,(H,18,22)(H2,17,20,21)/b16-11+
InChIKeyHSYOLXQVIFLHBI-LFIBNONCSA-N
MW326.39 g/mol
LogP1.83
Rot. Bonds4

About 2-amino-N-ethyl-4-(pyridine-2-carboximidoyl)thieno[2,3-d]pyrimidine-6-carboxamide

2-amino-N-ethyl-4-(pyridine-2-carboximidoyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 147840934) has the molecular formula C15H14N6OS and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-amino-N-ethyl-4-(pyridine-2-carboximidoyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-ethyl-4-(pyridine-2-carboximidoyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID147840934
Molecular FormulaC15H14N6OS
Molecular Weight326.39 g/mol
Exact Mass326.09
IUPAC Name2-amino-N-ethyl-4-(pyridine-2-carboximidoyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILES[H]/N=C(\c1ccccn1)c1nc(N)nc2sc(C(=O)NCC)cc12
InChIInChI=1S/C15H14N6OS/c1-2-18-13(22)10-7-8-12(20-15(17)21-14(8)23-10)11(16)9-5-3-4-6-19-9/h3-7,16H,2H2,1H3,(H,18,22)(H2,17,20,21)/b16-11+
InChIKeyHSYOLXQVIFLHBI-LFIBNONCSA-N
XLogP1.83
TPSA117.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-4-(pyridine-2-carboximidoyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-amino-N-ethyl-4-(pyridine-2-carboximidoyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 147840934) is 2-amino-N-ethyl-4-(pyridine-2-carboximidoyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-amino-N-ethyl-4-(pyridine-2-carboximidoyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-amino-N-ethyl-4-(pyridine-2-carboximidoyl)thieno[2,3-d]pyrimidine-6-carboxamide is [H]/N=C(\c1ccccn1)c1nc(N)nc2sc(C(=O)NCC)cc12.
What is the InChIKey of 2-amino-N-ethyl-4-(pyridine-2-carboximidoyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is HSYOLXQVIFLHBI-LFIBNONCSA-N. The full InChI is InChI=1S/C15H14N6OS/c1-2-18-13(22)10-7-8-12(20-15(17)21-14(8)23-10)11(16)9-5-3-4-6-19-9/h3-7,16H,2H2,1H3,(H,18,22)(H2,17,20,21)/b16-11+.
What are the key properties of 2-amino-N-ethyl-4-(pyridine-2-carboximidoyl)thieno[2,3-d]pyrimidine-6-carboxamide?
2-amino-N-ethyl-4-(pyridine-2-carboximidoyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 326.39 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-4-(pyridine-2-carboximidoyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 147840934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).