2-(benzimidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C14H11N5S — CID 62209725

IUPAC2-(benzimidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(Cn2cnc3ccccc32)nc2sccc12
InChIInChI=1S/C14H11N5S/c15-13-9-5-6-20-14(9)18-12(17-13)7-19-8-16-10-3-1-2-4-11(10)19/h1-6,8H,7H2,(H2,15,17,18)
InChIKeyQNUOLLRSECZDNO-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.67
Rot. Bonds2

About 2-(benzimidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

2-(benzimidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62209725) has the molecular formula C14H11N5S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-(benzimidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(benzimidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID62209725
Molecular FormulaC14H11N5S
Molecular Weight281.34 g/mol
Exact Mass281.07
IUPAC Name2-(benzimidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(Cn2cnc3ccccc32)nc2sccc12
InChIInChI=1S/C14H11N5S/c15-13-9-5-6-20-14(9)18-12(17-13)7-19-8-16-10-3-1-2-4-11(10)19/h1-6,8H,7H2,(H2,15,17,18)
InChIKeyQNUOLLRSECZDNO-UHFFFAOYSA-N
XLogP2.67
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(benzimidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 62209725) is 2-(benzimidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(benzimidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(benzimidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(Cn2cnc3ccccc32)nc2sccc12.
What is the InChIKey of 2-(benzimidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QNUOLLRSECZDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S/c15-13-9-5-6-20-14(9)18-12(17-13)7-19-8-16-10-3-1-2-4-11(10)19/h1-6,8H,7H2,(H2,15,17,18).
What are the key properties of 2-(benzimidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-(benzimidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 281.34 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62209725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).