5-(1H-indol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C14H11N5 — CID 118034586

IUPAC5-(1H-indol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2[nH]cc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C14H11N5/c15-13-12-9(6-16-14(12)18-7-17-13)11-5-8-3-1-2-4-10(8)19-11/h1-7,19H,(H3,15,16,17,18)
InChIKeyWONWBKRKRAAUHB-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.69
Rot. Bonds1

About 5-(1H-indol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-(1H-indol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 118034586) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 5-(1H-indol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(1H-indol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID118034586
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name5-(1H-indol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2[nH]cc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C14H11N5/c15-13-12-9(6-16-14(12)18-7-17-13)11-5-8-3-1-2-4-10(8)19-11/h1-7,19H,(H3,15,16,17,18)
InChIKeyWONWBKRKRAAUHB-UHFFFAOYSA-N
XLogP2.69
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(1H-indol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine 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

5-quinolin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 118596411
7-bromo-5-(1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 170985982
7-(1H-indol-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 10198842
5-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 18792935
2-(2-iodophenyl)-1H-indole
CID 12996175
[2-(1H-indol-2-yl)phenyl]methanamine
CID 142707803
2-(1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 69186852
4-(1H-indol-2-yl)-3-methylaniline
CID 141440028
5-ethyl-N-(1H-indol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166336926
5,6-bis(1H-indol-2-yl)-2,1,3-benzothiadiazole
CID 132521621
3-amino-1H-quinoline-2-thione
CID 3035978
2-(1H-diazirin-3-yl)-1H-indole
CID 137250152

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(1H-indol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 118034586) is 5-(1H-indol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(1H-indol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(1H-indol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2[nH]cc(-c3cc4ccccc4[nH]3)c12.
What is the InChIKey of 5-(1H-indol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is WONWBKRKRAAUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c15-13-12-9(6-16-14(12)18-7-17-13)11-5-8-3-1-2-4-10(8)19-11/h1-7,19H,(H3,15,16,17,18).
What are the key properties of 5-(1H-indol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-(1H-indol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 249.28 g/mol, XLogP of 2.69, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 118034586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).