4-(4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

C17H13N5 — CID 59411368

IUPAC4-(4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2c[nH]c3nccc(-c4ccccc4)c23)n1
InChIInChI=1S/C17H13N5/c18-17-20-9-7-14(22-17)13-10-21-16-15(13)12(6-8-19-16)11-4-2-1-3-5-11/h1-10H,(H,19,21)(H2,18,20,22)
InChIKeyBHSLUMYWKBBOGQ-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.27
Rot. Bonds2

About 4-(4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

4-(4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 59411368) has the molecular formula C17H13N5 and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-(4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
PubChem CID59411368
Molecular FormulaC17H13N5
Molecular Weight287.33 g/mol
Exact Mass287.12
IUPAC Name4-(4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2c[nH]c3nccc(-c4ccccc4)c23)n1
InChIInChI=1S/C17H13N5/c18-17-20-9-7-14(22-17)13-10-21-16-15(13)12(6-8-19-16)11-4-2-1-3-5-11/h1-10H,(H,19,21)(H2,18,20,22)
InChIKeyBHSLUMYWKBBOGQ-UHFFFAOYSA-N
XLogP3.27
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 141257501
4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 23727981
4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 44623244
3-(2-aminopyrimidin-4-yl)-N,N-diethyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 44623114
1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidine-3,4-diol
CID 75089872
N'-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]propane-1,3-diamine
CID 58396096
1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]propane-1,3-diamine;hydrochloride
CID 67330076
4-[4-(2-methoxyethoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 24801186
1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]imidazolidin-2-one
CID 58395974
4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 129206992
[3-amino-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-3-yl]methanol
CID 58395736
4-[4-(3,5-difluorophenoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 166135734

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (CID 59411368) is 4-(4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is Nc1nccc(-c2c[nH]c3nccc(-c4ccccc4)c23)n1.
What is the InChIKey of 4-(4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is BHSLUMYWKBBOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5/c18-17-20-9-7-14(22-17)13-10-21-16-15(13)12(6-8-19-16)11-4-2-1-3-5-11/h1-10H,(H,19,21)(H2,18,20,22).
What are the key properties of 4-(4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
4-(4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 287.33 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 59411368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).