2-(3-aminophenyl)-1-pyrimidin-2-ylindol-5-amine

C18H15N5 — CID 141497762

IUPAC2-(3-aminophenyl)-1-pyrimidin-2-ylindol-5-amine
SMILESNc1cccc(-c2cc3cc(N)ccc3n2-c2ncccn2)c1
InChIInChI=1S/C18H15N5/c19-14-4-1-3-12(9-14)17-11-13-10-15(20)5-6-16(13)23(17)18-21-7-2-8-22-18/h1-11H,19-20H2
InChIKeyGLKOIXREKMWMSL-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.25
Rot. Bonds2

About 2-(3-aminophenyl)-1-pyrimidin-2-ylindol-5-amine

2-(3-aminophenyl)-1-pyrimidin-2-ylindol-5-amine (PubChem CID 141497762) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1-pyrimidin-2-ylindol-5-amine.

Molecular Properties

Compound Name2-(3-aminophenyl)-1-pyrimidin-2-ylindol-5-amine
PubChem CID141497762
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name2-(3-aminophenyl)-1-pyrimidin-2-ylindol-5-amine
SMILESNc1cccc(-c2cc3cc(N)ccc3n2-c2ncccn2)c1
InChIInChI=1S/C18H15N5/c19-14-4-1-3-12(9-14)17-11-13-10-15(20)5-6-16(13)23(17)18-21-7-2-8-22-18/h1-11H,19-20H2
InChIKeyGLKOIXREKMWMSL-UHFFFAOYSA-N
XLogP3.25
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenyl)aniline;sulfane
CID 175159845
1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-amine
CID 118466537
4-(3-aminophenyl)pyrimidin-2-amine
CID 55250731
3-(1,2-dimethylindol-5-yl)aniline
CID 116996409
3-acridin-9-ylaniline
CID 87131444
3,5-bis(3-aminophenyl)-1,2,4-triazol-4-amine
CID 5302316
3-(4-pyridin-2-yl-1,3-thiazol-2-yl)aniline
CID 7148715
bicyclo[3.1.0]hexa-1(6),2,4-triene;1-ethynylindazol-5-amine
CID 22567245
2-ethenyl-5-methyl-1-pyrimidin-2-ylindole
CID 155679286
3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)aniline
CID 58857683
3-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)aniline
CID 89259333
2-(3-aminophenyl)benzimidazol-1-amine
CID 83430363

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1-pyrimidin-2-ylindol-5-amine?
The IUPAC name of 2-(3-aminophenyl)-1-pyrimidin-2-ylindol-5-amine (CID 141497762) is 2-(3-aminophenyl)-1-pyrimidin-2-ylindol-5-amine.
What is the SMILES notation for 2-(3-aminophenyl)-1-pyrimidin-2-ylindol-5-amine?
The canonical SMILES for 2-(3-aminophenyl)-1-pyrimidin-2-ylindol-5-amine is Nc1cccc(-c2cc3cc(N)ccc3n2-c2ncccn2)c1.
What is the InChIKey of 2-(3-aminophenyl)-1-pyrimidin-2-ylindol-5-amine?
The InChIKey is GLKOIXREKMWMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c19-14-4-1-3-12(9-14)17-11-13-10-15(20)5-6-16(13)23(17)18-21-7-2-8-22-18/h1-11H,19-20H2.
What are the key properties of 2-(3-aminophenyl)-1-pyrimidin-2-ylindol-5-amine?
2-(3-aminophenyl)-1-pyrimidin-2-ylindol-5-amine has a molecular weight of 301.35 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1-pyrimidin-2-ylindol-5-amine is sourced from PubChem (CID 141497762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).