1-(2-aminopyrimidin-4-yl)-2,3-dihydroindol-5-amine

C12H13N5 — CID 88992204

IUPAC1-(2-aminopyrimidin-4-yl)-2,3-dihydroindol-5-amine
SMILESNc1ccc2c(c1)CCN2c1ccnc(N)n1
InChIInChI=1S/C12H13N5/c13-9-1-2-10-8(7-9)4-6-17(10)11-3-5-15-12(14)16-11/h1-3,5,7H,4,6,13H2,(H2,14,15,16)
InChIKeyCYABNEXKQCSJMA-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.34
Rot. Bonds1

About 1-(2-aminopyrimidin-4-yl)-2,3-dihydroindol-5-amine

1-(2-aminopyrimidin-4-yl)-2,3-dihydroindol-5-amine (PubChem CID 88992204) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-(2-aminopyrimidin-4-yl)-2,3-dihydroindol-5-amine.

Molecular Properties

Compound Name1-(2-aminopyrimidin-4-yl)-2,3-dihydroindol-5-amine
PubChem CID88992204
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name1-(2-aminopyrimidin-4-yl)-2,3-dihydroindol-5-amine
SMILESNc1ccc2c(c1)CCN2c1ccnc(N)n1
InChIInChI=1S/C12H13N5/c13-9-1-2-10-8(7-9)4-6-17(10)11-3-5-15-12(14)16-11/h1-3,5,7H,4,6,13H2,(H2,14,15,16)
InChIKeyCYABNEXKQCSJMA-UHFFFAOYSA-N
XLogP1.34
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopyrimidin-4-yl)-2,3-dihydroindol-5-amine?
The IUPAC name of 1-(2-aminopyrimidin-4-yl)-2,3-dihydroindol-5-amine (CID 88992204) is 1-(2-aminopyrimidin-4-yl)-2,3-dihydroindol-5-amine.
What is the SMILES notation for 1-(2-aminopyrimidin-4-yl)-2,3-dihydroindol-5-amine?
The canonical SMILES for 1-(2-aminopyrimidin-4-yl)-2,3-dihydroindol-5-amine is Nc1ccc2c(c1)CCN2c1ccnc(N)n1.
What is the InChIKey of 1-(2-aminopyrimidin-4-yl)-2,3-dihydroindol-5-amine?
The InChIKey is CYABNEXKQCSJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c13-9-1-2-10-8(7-9)4-6-17(10)11-3-5-15-12(14)16-11/h1-3,5,7H,4,6,13H2,(H2,14,15,16).
What are the key properties of 1-(2-aminopyrimidin-4-yl)-2,3-dihydroindol-5-amine?
1-(2-aminopyrimidin-4-yl)-2,3-dihydroindol-5-amine has a molecular weight of 227.27 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopyrimidin-4-yl)-2,3-dihydroindol-5-amine is sourced from PubChem (CID 88992204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).