4-(3-phenylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine

C17H13N5 — CID 71580830

IUPAC4-(3-phenylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine
SMILESNc1nccc(-n2cc(-c3ccccc3)c3cnccc32)n1
InChIInChI=1S/C17H13N5/c18-17-20-9-7-16(21-17)22-11-14(12-4-2-1-3-5-12)13-10-19-8-6-15(13)22/h1-11H,(H2,18,20,21)
InChIKeyAYOMJWCPTKKGCF-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.06
Rot. Bonds2

About 4-(3-phenylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine

4-(3-phenylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine (PubChem CID 71580830) has the molecular formula C17H13N5 and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-(3-phenylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-phenylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine
PubChem CID71580830
Molecular FormulaC17H13N5
Molecular Weight287.33 g/mol
Exact Mass287.12
IUPAC Name4-(3-phenylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine
SMILESNc1nccc(-n2cc(-c3ccccc3)c3cnccc32)n1
InChIInChI=1S/C17H13N5/c18-17-20-9-7-16(21-17)22-11-14(12-4-2-1-3-5-12)13-10-19-8-6-15(13)22/h1-11H,(H2,18,20,21)
InChIKeyAYOMJWCPTKKGCF-UHFFFAOYSA-N
XLogP3.06
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(3-phenylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine (CID 71580830) is 4-(3-phenylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-phenylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-phenylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine is Nc1nccc(-n2cc(-c3ccccc3)c3cnccc32)n1.
What is the InChIKey of 4-(3-phenylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine?
The InChIKey is AYOMJWCPTKKGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5/c18-17-20-9-7-16(21-17)22-11-14(12-4-2-1-3-5-12)13-10-19-8-6-15(13)22/h1-11H,(H2,18,20,21).
What are the key properties of 4-(3-phenylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine?
4-(3-phenylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine has a molecular weight of 287.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 71580830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).