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

C12H13N5S2 — CID 40671160

IUPACN-[2-(1-methylimidazol-2-yl)sulfanylethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCn1ccnc1SCCNc1ncnc2sccc12
InChIInChI=1S/C12H13N5S2/c1-17-5-3-14-12(17)19-7-4-13-10-9-2-6-18-11(9)16-8-15-10/h2-3,5-6,8H,4,7H2,1H3,(H,13,15,16)
InChIKeyHAYPNCFTBQBYIF-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.63
Rot. Bonds5

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

N-[2-(1-methylimidazol-2-yl)sulfanylethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 40671160) has the molecular formula C12H13N5S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)sulfanylethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)sulfanylethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID40671160
Molecular FormulaC12H13N5S2
Molecular Weight291.40 g/mol
Exact Mass291.06
IUPAC NameN-[2-(1-methylimidazol-2-yl)sulfanylethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCn1ccnc1SCCNc1ncnc2sccc12
InChIInChI=1S/C12H13N5S2/c1-17-5-3-14-12(17)19-7-4-13-10-9-2-6-18-11(9)16-8-15-10/h2-3,5-6,8H,4,7H2,1H3,(H,13,15,16)
InChIKeyHAYPNCFTBQBYIF-UHFFFAOYSA-N
XLogP2.63
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]thieno[2,3-d]pyrimidin-4-amine (CID 40671160) is N-[2-(1-methylimidazol-2-yl)sulfanylethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)sulfanylethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)sulfanylethyl]thieno[2,3-d]pyrimidin-4-amine is Cn1ccnc1SCCNc1ncnc2sccc12.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HAYPNCFTBQBYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S2/c1-17-5-3-14-12(17)19-7-4-13-10-9-2-6-18-11(9)16-8-15-10/h2-3,5-6,8H,4,7H2,1H3,(H,13,15,16).
What are the key properties of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]thieno[2,3-d]pyrimidin-4-amine?
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 291.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)sulfanylethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 40671160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).