4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine

C10H9N5S2 — CID 114001333

IUPAC4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Sc2ncc[nH]2)c2ccsc2n1
InChIInChI=1S/C10H9N5S2/c1-11-9-14-7-6(2-5-16-7)8(15-9)17-10-12-3-4-13-10/h2-5H,1H3,(H,12,13)(H,11,14,15)
InChIKeyKLWOSFLZAZONCK-UHFFFAOYSA-N
MW263.35 g/mol
LogP2.61
Rot. Bonds3

About 4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine

4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 114001333) has the molecular formula C10H9N5S2 and a molecular weight of 263.35 g/mol. Its IUPAC name is 4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID114001333
Molecular FormulaC10H9N5S2
Molecular Weight263.35 g/mol
Exact Mass263.03
IUPAC Name4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Sc2ncc[nH]2)c2ccsc2n1
InChIInChI=1S/C10H9N5S2/c1-11-9-14-7-6(2-5-16-7)8(15-9)17-10-12-3-4-13-10/h2-5H,1H3,(H,12,13)(H,11,14,15)
InChIKeyKLWOSFLZAZONCK-UHFFFAOYSA-N
XLogP2.61
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1H-imidazol-2-ylsulfanyl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 114001337
4-methyl-2-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 136678147
N-methyl-4-(2-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334534
N-methyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334551
4-(3,4-dichlorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103335037
N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103334519
2-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 103334011
N-methyl-4-propylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334188
4-(2,5-difluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334423
4-(3-fluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103335232
N-ethyl-4-(1H-imidazol-2-ylsulfanyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 107784942
N-ethyl-4-(1H-imidazol-2-ylsulfanyl)quinazolin-2-amine
CID 107784957

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine (CID 114001333) is 4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine is CNc1nc(Sc2ncc[nH]2)c2ccsc2n1.
What is the InChIKey of 4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is KLWOSFLZAZONCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S2/c1-11-9-14-7-6(2-5-16-7)8(15-9)17-10-12-3-4-13-10/h2-5H,1H3,(H,12,13)(H,11,14,15).
What are the key properties of 4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine?
4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 263.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-ylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 114001333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).