N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C15H12N6S — CID 18133994

IUPACN-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESc1cn(-c2ccc(CNc3ncnc4sccc34)cn2)cn1
InChIInChI=1S/C15H12N6S/c1-2-13(21-5-4-16-10-21)17-7-11(1)8-18-14-12-3-6-22-15(12)20-9-19-14/h1-7,9-10H,8H2,(H,18,19,20)
InChIKeySAJWFIAKAHSRIA-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.88
Rot. Bonds4

About N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine

N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 18133994) has the molecular formula C15H12N6S and a molecular weight of 308.37 g/mol. Its IUPAC name is N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID18133994
Molecular FormulaC15H12N6S
Molecular Weight308.37 g/mol
Exact Mass308.08
IUPAC NameN-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESc1cn(-c2ccc(CNc3ncnc4sccc34)cn2)cn1
InChIInChI=1S/C15H12N6S/c1-2-13(21-5-4-16-10-21)17-7-11(1)8-18-14-12-3-6-22-15(12)20-9-19-14/h1-7,9-10H,8H2,(H,18,19,20)
InChIKeySAJWFIAKAHSRIA-UHFFFAOYSA-N
XLogP2.88
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 18133994) is N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine is c1cn(-c2ccc(CNc3ncnc4sccc34)cn2)cn1.
What is the InChIKey of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SAJWFIAKAHSRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6S/c1-2-13(21-5-4-16-10-21)17-7-11(1)8-18-14-12-3-6-22-15(12)20-9-19-14/h1-7,9-10H,8H2,(H,18,19,20).
What are the key properties of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 308.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18133994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).