2-[(2-methylimidazol-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C11H11N5S — CID 55046528

IUPAC2-[(2-methylimidazol-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nccn1Cc1nc(N)c2ccsc2n1
InChIInChI=1S/C11H11N5S/c1-7-13-3-4-16(7)6-9-14-10(12)8-2-5-17-11(8)15-9/h2-5H,6H2,1H3,(H2,12,14,15)
InChIKeyDWXINEJSOUOUKX-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.83
Rot. Bonds2

About 2-[(2-methylimidazol-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

2-[(2-methylimidazol-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 55046528) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-[(2-methylimidazol-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-methylimidazol-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID55046528
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name2-[(2-methylimidazol-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nccn1Cc1nc(N)c2ccsc2n1
InChIInChI=1S/C11H11N5S/c1-7-13-3-4-16(7)6-9-14-10(12)8-2-5-17-11(8)15-9/h2-5H,6H2,1H3,(H2,12,14,15)
InChIKeyDWXINEJSOUOUKX-UHFFFAOYSA-N
XLogP1.83
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylimidazol-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2-methylimidazol-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 55046528) is 2-[(2-methylimidazol-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2-methylimidazol-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2-methylimidazol-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is Cc1nccn1Cc1nc(N)c2ccsc2n1.
What is the InChIKey of 2-[(2-methylimidazol-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DWXINEJSOUOUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-7-13-3-4-16(7)6-9-14-10(12)8-2-5-17-11(8)15-9/h2-5H,6H2,1H3,(H2,12,14,15).
What are the key properties of 2-[(2-methylimidazol-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-[(2-methylimidazol-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 245.31 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylimidazol-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 55046528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).