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

C17H15N5S — CID 45275820

IUPAC6-benzyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCn1cnc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)c1
InChIInChI=1S/C17H15N5S/c1-22-9-14(19-10-22)16-20-15(18)13-8-12(23-17(13)21-16)7-11-5-3-2-4-6-11/h2-6,8-10H,7H2,1H3,(H2,18,20,21)
InChIKeyIALIDEAJOWYECV-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.26
Rot. Bonds3

About 6-benzyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine

6-benzyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45275820) has the molecular formula C17H15N5S and a molecular weight of 321.41 g/mol. Its IUPAC name is 6-benzyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45275820
Molecular FormulaC17H15N5S
Molecular Weight321.41 g/mol
Exact Mass321.10
IUPAC Name6-benzyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCn1cnc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)c1
InChIInChI=1S/C17H15N5S/c1-22-9-14(19-10-22)16-20-15(18)13-8-12(23-17(13)21-16)7-11-5-3-2-4-6-11/h2-6,8-10H,7H2,1H3,(H2,18,20,21)
InChIKeyIALIDEAJOWYECV-UHFFFAOYSA-N
XLogP3.26
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[Butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 129281194
Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
Ikk-IN-3
CID 10215156
2-[3-(Cyclohexylmethyl)-5-Phenyl-Imidazol-4-Yl]-[1,3]thiazolo[4,5-E]pyrimidin-7-Amine
CID 10362983
N,12-dimethyl-4-phenyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 11173949
9-butyl-8-[(7-methyl-1,3-benzothiazol-2-yl)sulfanyl]-9H-purin-6-amine
CID 11850634
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-benzyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine (CID 45275820) is 6-benzyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine is Cn1cnc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)c1.
What is the InChIKey of 6-benzyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IALIDEAJOWYECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S/c1-22-9-14(19-10-22)16-20-15(18)13-8-12(23-17(13)21-16)7-11-5-3-2-4-6-11/h2-6,8-10H,7H2,1H3,(H2,18,20,21).
What are the key properties of 6-benzyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine?
6-benzyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 321.41 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45275820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).