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

C16H12N6 — CID 71580832

IUPAC4-(3-pyridin-4-ylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine
SMILESNc1nccc(-n2cc(-c3ccncc3)c3cnccc32)n1
InChIInChI=1S/C16H12N6/c17-16-20-8-4-15(21-16)22-10-13(11-1-5-18-6-2-11)12-9-19-7-3-14(12)22/h1-10H,(H2,17,20,21)
InChIKeyJMBGZDQTEDTGBR-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.46
Rot. Bonds2

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

4-(3-pyridin-4-ylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine (PubChem CID 71580832) has the molecular formula C16H12N6 and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-(3-pyridin-4-ylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-pyridin-4-ylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine
PubChem CID71580832
Molecular FormulaC16H12N6
Molecular Weight288.31 g/mol
Exact Mass288.11
IUPAC Name4-(3-pyridin-4-ylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine
SMILESNc1nccc(-n2cc(-c3ccncc3)c3cnccc32)n1
InChIInChI=1S/C16H12N6/c17-16-20-8-4-15(21-16)22-10-13(11-1-5-18-6-2-11)12-9-19-7-3-14(12)22/h1-10H,(H2,17,20,21)
InChIKeyJMBGZDQTEDTGBR-UHFFFAOYSA-N
XLogP2.46
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-4-ylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(3-pyridin-4-ylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine (CID 71580832) is 4-(3-pyridin-4-ylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-pyridin-4-ylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-pyridin-4-ylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine is Nc1nccc(-n2cc(-c3ccncc3)c3cnccc32)n1.
What is the InChIKey of 4-(3-pyridin-4-ylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine?
The InChIKey is JMBGZDQTEDTGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6/c17-16-20-8-4-15(21-16)22-10-13(11-1-5-18-6-2-11)12-9-19-7-3-14(12)22/h1-10H,(H2,17,20,21).
What are the key properties of 4-(3-pyridin-4-ylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine?
4-(3-pyridin-4-ylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine has a molecular weight of 288.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridin-4-ylpyrrolo[3,2-c]pyridin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 71580832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).