4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine

C16H12N6 — CID 175733041

IUPAC4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2cnc3ccc(-c4cccnc4)cn23)n1
InChIInChI=1S/C16H12N6/c17-16-19-7-5-13(21-16)14-9-20-15-4-3-12(10-22(14)15)11-2-1-6-18-8-11/h1-10H,(H2,17,19,21)
InChIKeyCSCBZCUPOVMPKN-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.44
Rot. Bonds2

About 4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine

4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 175733041) has the molecular formula C16H12N6 and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
PubChem CID175733041
Molecular FormulaC16H12N6
Molecular Weight288.31 g/mol
Exact Mass288.11
IUPAC Name4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2cnc3ccc(-c4cccnc4)cn23)n1
InChIInChI=1S/C16H12N6/c17-16-19-7-5-13(21-16)14-9-20-15-4-3-12(10-22(14)15)11-2-1-6-18-8-11/h1-10H,(H2,17,19,21)
InChIKeyCSCBZCUPOVMPKN-UHFFFAOYSA-N
XLogP2.44
TPSA81.99 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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine (CID 175733041) is 4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine is Nc1nccc(-c2cnc3ccc(-c4cccnc4)cn23)n1.
What is the InChIKey of 4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is CSCBZCUPOVMPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6/c17-16-19-7-5-13(21-16)14-9-20-15-4-3-12(10-22(14)15)11-2-1-6-18-8-11/h1-10H,(H2,17,19,21).
What are the key properties of 4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine?
4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 288.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 175733041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).