N-(2-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine

C21H16N4S — CID 18382784

IUPACN-(2-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1cc2cc(Nc3ncnc4cc(-c5ccccc5)sc34)ccc2[nH]1
InChIInChI=1S/C21H16N4S/c1-13-9-15-10-16(7-8-17(15)24-13)25-21-20-18(22-12-23-21)11-19(26-20)14-5-3-2-4-6-14/h2-12,24H,1H3,(H,22,23,25)
InChIKeyBHQDAUJABYYOCH-UHFFFAOYSA-N
MW356.45 g/mol
LogP5.89
Rot. Bonds3

About N-(2-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine

N-(2-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 18382784) has the molecular formula C21H16N4S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-(2-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine
PubChem CID18382784
Molecular FormulaC21H16N4S
Molecular Weight356.45 g/mol
Exact Mass356.11
IUPAC NameN-(2-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1cc2cc(Nc3ncnc4cc(-c5ccccc5)sc34)ccc2[nH]1
InChIInChI=1S/C21H16N4S/c1-13-9-15-10-16(7-8-17(15)24-13)25-21-20-18(22-12-23-21)11-19(26-20)14-5-3-2-4-6-14/h2-12,24H,1H3,(H,22,23,25)
InChIKeyBHQDAUJABYYOCH-UHFFFAOYSA-N
XLogP5.89
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.45
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Benzothieno[3,2-d]pyrimidine deriv. 61
CID 5328409
Benzothieno[3,2-d]pyrimidine deriv. 51
CID 5328399
Benzothieno[3,2-d]pyrimidine deriv. 52
CID 5328400
6-Phenyl-thieno[3,2-d]pyrimidin-4-ylamine
CID 11499583
(1H-Indol-5-yl)-(6-thiophen-2-yl-thieno[3,2-d]pyrimidin-4-yl)-amine
CID 18382853
{4-[4-(1H-Indol-5-ylamino)-thieno[3,2-d]pyrimidin-6-yl]-phenyl}-methanol
CID 18382910
Benzothieno[3,2-d]pyrimidine deriv. 54
CID 5328402
Benzothieno[3,2-d]pyrimidine deriv. 55
CID 5328403
Benzothieno[3,2-d]pyrimidine deriv. 58
CID 5328406
Benzothieno[3,2-d]pyrimidine deriv. 59
CID 5328407
Benzothieno[3,2-d]pyrimidine deriv. 60
CID 5328408
Benzothieno[3,2-d]pyrimidine deriv. 67
CID 5328415

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine (CID 18382784) is N-(2-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine is Cc1cc2cc(Nc3ncnc4cc(-c5ccccc5)sc34)ccc2[nH]1.
What is the InChIKey of N-(2-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is BHQDAUJABYYOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4S/c1-13-9-15-10-16(7-8-17(15)24-13)25-21-20-18(22-12-23-21)11-19(26-20)14-5-3-2-4-6-14/h2-12,24H,1H3,(H,22,23,25).
What are the key properties of N-(2-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine?
N-(2-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 356.45 g/mol, XLogP of 5.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1H-indol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 18382784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).