6-[4-(aminomethyl)phenyl]-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine

C21H17N5S — CID 18382775

IUPAC6-[4-(aminomethyl)phenyl]-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESNCc1ccc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)cc1
InChIInChI=1S/C21H17N5S/c22-11-13-1-3-14(4-2-13)19-10-18-20(27-19)21(25-12-24-18)26-16-5-6-17-15(9-16)7-8-23-17/h1-10,12,23H,11,22H2,(H,24,25,26)
InChIKeyYRXBBYUECWYNNN-UHFFFAOYSA-N
MW371.47 g/mol
LogP5.04
Rot. Bonds4

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

6-[4-(aminomethyl)phenyl]-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 18382775) has the molecular formula C21H17N5S and a molecular weight of 371.47 g/mol. Its IUPAC name is 6-[4-(aminomethyl)phenyl]-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(aminomethyl)phenyl]-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID18382775
Molecular FormulaC21H17N5S
Molecular Weight371.47 g/mol
Exact Mass371.12
IUPAC Name6-[4-(aminomethyl)phenyl]-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESNCc1ccc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)cc1
InChIInChI=1S/C21H17N5S/c22-11-13-1-3-14(4-2-13)19-10-18-20(27-19)21(25-12-24-18)26-16-5-6-17-15(9-16)7-8-23-17/h1-10,12,23H,11,22H2,(H,24,25,26)
InChIKeyYRXBBYUECWYNNN-UHFFFAOYSA-N
XLogP5.04
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.47
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)phenyl]-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-[4-(aminomethyl)phenyl]-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine (CID 18382775) is 6-[4-(aminomethyl)phenyl]-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(aminomethyl)phenyl]-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-[4-(aminomethyl)phenyl]-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine is NCc1ccc(-c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)cc1.
What is the InChIKey of 6-[4-(aminomethyl)phenyl]-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is YRXBBYUECWYNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5S/c22-11-13-1-3-14(4-2-13)19-10-18-20(27-19)21(25-12-24-18)26-16-5-6-17-15(9-16)7-8-23-17/h1-10,12,23H,11,22H2,(H,24,25,26).
What are the key properties of 6-[4-(aminomethyl)phenyl]-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine?
6-[4-(aminomethyl)phenyl]-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 371.47 g/mol, XLogP of 5.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)phenyl]-N-(1H-indol-5-yl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 18382775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).