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

C21H16N4S — CID 11024702

IUPACN-(1-methylindol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine
SMILESCn1ccc2cc(Nc3ncnc4cc(-c5ccccc5)sc34)ccc21
InChIInChI=1S/C21H16N4S/c1-25-10-9-15-11-16(7-8-18(15)25)24-21-20-17(22-13-23-21)12-19(26-20)14-5-3-2-4-6-14/h2-13H,1H3,(H,22,23,24)
InChIKeyYADYTZSPBHCXQS-UHFFFAOYSA-N
MW356.45 g/mol
LogP5.59
Rot. Bonds3

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

N-(1-methylindol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 11024702) has the molecular formula C21H16N4S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-(1-methylindol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-methylindol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine
PubChem CID11024702
Molecular FormulaC21H16N4S
Molecular Weight356.45 g/mol
Exact Mass356.11
IUPAC NameN-(1-methylindol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine
SMILESCn1ccc2cc(Nc3ncnc4cc(-c5ccccc5)sc34)ccc21
InChIInChI=1S/C21H16N4S/c1-25-10-9-15-11-16(7-8-18(15)25)24-21-20-17(22-13-23-21)12-19(26-20)14-5-3-2-4-6-14/h2-13H,1H3,(H,22,23,24)
InChIKeyYADYTZSPBHCXQS-UHFFFAOYSA-N
XLogP5.59
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.45
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylindol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1-methylindol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine (CID 11024702) is N-(1-methylindol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-methylindol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-methylindol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine is Cn1ccc2cc(Nc3ncnc4cc(-c5ccccc5)sc34)ccc21.
What is the InChIKey of N-(1-methylindol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is YADYTZSPBHCXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4S/c1-25-10-9-15-11-16(7-8-18(15)25)24-21-20-17(22-13-23-21)12-19(26-20)14-5-3-2-4-6-14/h2-13H,1H3,(H,22,23,24).
What are the key properties of N-(1-methylindol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine?
N-(1-methylindol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 356.45 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 11024702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).