6-N-(1-benzothiophen-6-yl)-2-N-cycloheptyl-7H-purine-2,6-diamine

C20H22N6S — CID 11567043

IUPAC6-N-(1-benzothiophen-6-yl)-2-N-cycloheptyl-7H-purine-2,6-diamine
SMILESc1nc2nc(NC3CCCCCC3)nc(Nc3ccc4ccsc4c3)c2[nH]1
InChIInChI=1S/C20H22N6S/c1-2-4-6-14(5-3-1)24-20-25-18-17(21-12-22-18)19(26-20)23-15-8-7-13-9-10-27-16(13)11-15/h7-12,14H,1-6H2,(H3,21,22,23,24,25,26)
InChIKeyUEGSHTDRVUYVIW-UHFFFAOYSA-N
MW378.51 g/mol
LogP5.45
Rot. Bonds4

About 6-N-(1-benzothiophen-6-yl)-2-N-cycloheptyl-7H-purine-2,6-diamine

6-N-(1-benzothiophen-6-yl)-2-N-cycloheptyl-7H-purine-2,6-diamine (PubChem CID 11567043) has the molecular formula C20H22N6S and a molecular weight of 378.51 g/mol. Its IUPAC name is 6-N-(1-benzothiophen-6-yl)-2-N-cycloheptyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1-benzothiophen-6-yl)-2-N-cycloheptyl-7H-purine-2,6-diamine
PubChem CID11567043
Molecular FormulaC20H22N6S
Molecular Weight378.51 g/mol
Exact Mass378.16
IUPAC Name6-N-(1-benzothiophen-6-yl)-2-N-cycloheptyl-7H-purine-2,6-diamine
SMILESc1nc2nc(NC3CCCCCC3)nc(Nc3ccc4ccsc4c3)c2[nH]1
InChIInChI=1S/C20H22N6S/c1-2-4-6-14(5-3-1)24-20-25-18-17(21-12-22-18)19(26-20)23-15-8-7-13-9-10-27-16(13)11-15/h7-12,14H,1-6H2,(H3,21,22,23,24,25,26)
InChIKeyUEGSHTDRVUYVIW-UHFFFAOYSA-N
XLogP5.45
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.51
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-N-(1-benzothiophen-6-yl)-2-N-cycloheptyl-7H-purine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-cycloheptyl-6-N-[4-(2,3-dihydrothiophen-2-yl)phenyl]-7H-purine-2,6-diamine
CID 11589546
2-N-(4-aminocyclohexyl)-6-N-cyclopentyl-7H-purine-2,6-diamine
CID 141001606
2-N-(4-aminocyclohexyl)-6-N-phenyl-7H-purine-2,6-diamine;dihydrochloride
CID 22149693
2-N-cyclopentyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 59130365
6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783648
6-N-cyclohexyl-2-N-(2-methoxy-4-methylphenyl)-7H-purine-2,6-diamine
CID 91243419
3-[(6-anilino-7H-purin-2-yl)amino]-1-methylcyclobutan-1-ol
CID 167951915
6-N-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine
CID 25121463
2-chloro-N-cyclooctyl-7H-purin-6-amine
CID 11587232
6-N-cyclopentyl-2-N-[4-(1,2,5-diselenazepan-5-yl)phenyl]-7H-purine-2,6-diamine
CID 158553885
2-N-cyclohexyl-4-N-(4-fluorophenyl)pteridine-2,4-diamine
CID 16910617
6-N-cyclohexyl-2-N-[2-methyl-4-(4-methylcyclohexyl)phenyl]-7H-purine-2,6-diamine
CID 91307740

Frequently Asked Questions

What is the IUPAC name of 6-N-(1-benzothiophen-6-yl)-2-N-cycloheptyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(1-benzothiophen-6-yl)-2-N-cycloheptyl-7H-purine-2,6-diamine (CID 11567043) is 6-N-(1-benzothiophen-6-yl)-2-N-cycloheptyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(1-benzothiophen-6-yl)-2-N-cycloheptyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(1-benzothiophen-6-yl)-2-N-cycloheptyl-7H-purine-2,6-diamine is c1nc2nc(NC3CCCCCC3)nc(Nc3ccc4ccsc4c3)c2[nH]1.
What is the InChIKey of 6-N-(1-benzothiophen-6-yl)-2-N-cycloheptyl-7H-purine-2,6-diamine?
The InChIKey is UEGSHTDRVUYVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6S/c1-2-4-6-14(5-3-1)24-20-25-18-17(21-12-22-18)19(26-20)23-15-8-7-13-9-10-27-16(13)11-15/h7-12,14H,1-6H2,(H3,21,22,23,24,25,26).
What are the key properties of 6-N-(1-benzothiophen-6-yl)-2-N-cycloheptyl-7H-purine-2,6-diamine?
6-N-(1-benzothiophen-6-yl)-2-N-cycloheptyl-7H-purine-2,6-diamine has a molecular weight of 378.51 g/mol, XLogP of 5.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-benzothiophen-6-yl)-2-N-cycloheptyl-7H-purine-2,6-diamine is sourced from PubChem (CID 11567043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).