6-N-(2-anilinoethyl)-4-N-(1H-indol-5-yl)-6-N-pyrrol-1-ylthieno[3,2-d]pyrimidine-4,6-diamine

C26H23N7S — CID 44316765

IUPAC6-N-(2-anilinoethyl)-4-N-(1H-indol-5-yl)-6-N-pyrrol-1-ylthieno[3,2-d]pyrimidine-4,6-diamine
SMILESC1=CC=C(C=C1)NCCN(C2=CC3=C(S2)C(=NC=N3)NC4=CC5=C(C=C4)NC=C5)N6C=CC=C6
InChIInChI=1S/C26H23N7S/c1-2-6-20(7-3-1)27-12-15-33(32-13-4-5-14-32)24-17-23-25(34-24)26(30-18-29-23)31-21-8-9-22-19(16-21)10-11-28-22/h1-11,13-14,16-18,27-28H,12,15H2,(H,29,30,31)
InChIKeyTUGBVZCJQUNZOM-UHFFFAOYSA-N
MW465.60 g/mol
LogP6.20
Rot. Bonds8

About 6-N-(2-anilinoethyl)-4-N-(1H-indol-5-yl)-6-N-pyrrol-1-ylthieno[3,2-d]pyrimidine-4,6-diamine

6-N-(2-anilinoethyl)-4-N-(1H-indol-5-yl)-6-N-pyrrol-1-ylthieno[3,2-d]pyrimidine-4,6-diamine (PubChem CID 44316765) has the molecular formula C26H23N7S and a molecular weight of 465.60 g/mol. Its IUPAC name is 6-N-(2-anilinoethyl)-4-N-(1H-indol-5-yl)-6-N-pyrrol-1-ylthieno[3,2-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-anilinoethyl)-4-N-(1H-indol-5-yl)-6-N-pyrrol-1-ylthieno[3,2-d]pyrimidine-4,6-diamine
PubChem CID44316765
Molecular FormulaC26H23N7S
Molecular Weight465.60 g/mol
Exact Mass465.17
IUPAC Name6-N-(2-anilinoethyl)-4-N-(1H-indol-5-yl)-6-N-pyrrol-1-ylthieno[3,2-d]pyrimidine-4,6-diamine
SMILESC1=CC=C(C=C1)NCCN(C2=CC3=C(S2)C(=NC=N3)NC4=CC5=C(C=C4)NC=C5)N6C=CC=C6
InChIInChI=1S/C26H23N7S/c1-2-6-20(7-3-1)27-12-15-33(32-13-4-5-14-32)24-17-23-25(34-24)26(30-18-29-23)31-21-8-9-22-19(16-21)10-11-28-22/h1-11,13-14,16-18,27-28H,12,15H2,(H,29,30,31)
InChIKeyTUGBVZCJQUNZOM-UHFFFAOYSA-N
XLogP6.20
TPSA102.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity641

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 56.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-N-(2-anilinoethyl)-4-N-(1H-indol-5-yl)-6-N-pyrrol-1-ylthieno[3,2-d]pyrimidine-4,6-diamine with MolForge

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Related Compounds

1-1H-indol-7-yl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138117
(1H-Indol-5-yl)-(6-thiophen-2-yl-thieno[3,2-d]pyrimidin-4-yl)-amine
CID 18382853
2-{4-[4-(1H-Indol-5-ylamino)-thieno[3,2-d]pyrimidin-6-yl]-benzylamino}-2-methyl-propan-1-ol
CID 44316725
6-N-imidazol-1-yl-4-N-(1H-indol-5-yl)-6-N-(3-phenylpropyl)thieno[3,2-d]pyrimidine-4,6-diamine
CID 44316744
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-2-amine
CID 164627693
(1H-Indol-5-yl)-(6-phenyl-thieno[3,2-d]pyrimidin-4-yl)-amine
CID 9884465
Methyl-thiophen-3-ylmethyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-yl}-amine
CID 10502988
Methyl-thiophen-2-ylmethyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-yl}-amine
CID 10717709
N-(4-(1H-benzo[d]imidazol-2-ylamino)phenethyl)thieno[3,2-d]pyrimidin-4-amine
CID 11523891
(3-Methyl-1H-indol-5-yl)-(6-phenyl-thieno[3,2-d]pyrimidin-4-yl)-amine
CID 18382736
[6-(4-Aminomethyl-phenyl)-thieno[3,2-d]pyrimidin-4-yl]-(1H-indol-5-yl)-amine
CID 18382775
(2-Methyl-1H-indol-5-yl)-(6-phenyl-thieno[3,2-d]pyrimidin-4-yl)-amine
CID 18382784

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-anilinoethyl)-4-N-(1H-indol-5-yl)-6-N-pyrrol-1-ylthieno[3,2-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-anilinoethyl)-4-N-(1H-indol-5-yl)-6-N-pyrrol-1-ylthieno[3,2-d]pyrimidine-4,6-diamine (CID 44316765) is 6-N-(2-anilinoethyl)-4-N-(1H-indol-5-yl)-6-N-pyrrol-1-ylthieno[3,2-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-anilinoethyl)-4-N-(1H-indol-5-yl)-6-N-pyrrol-1-ylthieno[3,2-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-anilinoethyl)-4-N-(1H-indol-5-yl)-6-N-pyrrol-1-ylthieno[3,2-d]pyrimidine-4,6-diamine is C1=CC=C(C=C1)NCCN(C2=CC3=C(S2)C(=NC=N3)NC4=CC5=C(C=C4)NC=C5)N6C=CC=C6.
What is the InChIKey of 6-N-(2-anilinoethyl)-4-N-(1H-indol-5-yl)-6-N-pyrrol-1-ylthieno[3,2-d]pyrimidine-4,6-diamine?
The InChIKey is TUGBVZCJQUNZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7S/c1-2-6-20(7-3-1)27-12-15-33(32-13-4-5-14-32)24-17-23-25(34-24)26(30-18-29-23)31-21-8-9-22-19(16-21)10-11-28-22/h1-11,13-14,16-18,27-28H,12,15H2,(H,29,30,31).
What are the key properties of 6-N-(2-anilinoethyl)-4-N-(1H-indol-5-yl)-6-N-pyrrol-1-ylthieno[3,2-d]pyrimidine-4,6-diamine?
6-N-(2-anilinoethyl)-4-N-(1H-indol-5-yl)-6-N-pyrrol-1-ylthieno[3,2-d]pyrimidine-4,6-diamine has a molecular weight of 465.60 g/mol, XLogP of 6.20, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-anilinoethyl)-4-N-(1H-indol-5-yl)-6-N-pyrrol-1-ylthieno[3,2-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 44316765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).