2-chloro-5-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine

C10H8ClN5S — CID 91044226

IUPAC2-chloro-5-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCn1cnc(-c2csc3nc(Cl)nc(N)c23)c1
InChIInChI=1S/C10H8ClN5S/c1-16-2-6(13-4-16)5-3-17-9-7(5)8(12)14-10(11)15-9/h2-4H,1H3,(H2,12,14,15)
InChIKeyBNAOBLLYJMBTQH-UHFFFAOYSA-N
MW265.73 g/mol
LogP2.33
Rot. Bonds1

About 2-chloro-5-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine

2-chloro-5-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 91044226) has the molecular formula C10H8ClN5S and a molecular weight of 265.73 g/mol. Its IUPAC name is 2-chloro-5-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID91044226
Molecular FormulaC10H8ClN5S
Molecular Weight265.73 g/mol
Exact Mass265.02
IUPAC Name2-chloro-5-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCn1cnc(-c2csc3nc(Cl)nc(N)c23)c1
InChIInChI=1S/C10H8ClN5S/c1-16-2-6(13-4-16)5-3-17-9-7(5)8(12)14-10(11)15-9/h2-4H,1H3,(H2,12,14,15)
InChIKeyBNAOBLLYJMBTQH-UHFFFAOYSA-N
XLogP2.33
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.73
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine (CID 91044226) is 2-chloro-5-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine is Cn1cnc(-c2csc3nc(Cl)nc(N)c23)c1.
What is the InChIKey of 2-chloro-5-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BNAOBLLYJMBTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5S/c1-16-2-6(13-4-16)5-3-17-9-7(5)8(12)14-10(11)15-9/h2-4H,1H3,(H2,12,14,15).
What are the key properties of 2-chloro-5-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-5-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 265.73 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91044226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).