1-pyrimidin-2-ylpyridin-4-imine

C9H8N4 — CID 3085363

IUPAC1-pyrimidin-2-ylpyridin-4-imine
SMILES[H]N=c1ccn(-c2ncccn2)cc1
InChIInChI=1S/C9H8N4/c10-8-2-6-13(7-3-8)9-11-4-1-5-12-9/h1-7,10H
InChIKeyXUAZXAWRIGJCQY-UHFFFAOYSA-N
MW172.19 g/mol
LogP0.75
Rot. Bonds1

About 1-pyrimidin-2-ylpyridin-4-imine

1-pyrimidin-2-ylpyridin-4-imine (PubChem CID 3085363) has the molecular formula C9H8N4 and a molecular weight of 172.19 g/mol. Its IUPAC name is 1-pyrimidin-2-ylpyridin-4-imine.

Molecular Properties

Compound Name1-pyrimidin-2-ylpyridin-4-imine
PubChem CID3085363
Molecular FormulaC9H8N4
Molecular Weight172.19 g/mol
Exact Mass172.07
IUPAC Name1-pyrimidin-2-ylpyridin-4-imine
SMILES[H]N=c1ccn(-c2ncccn2)cc1
InChIInChI=1S/C9H8N4/c10-8-2-6-13(7-3-8)9-11-4-1-5-12-9/h1-7,10H
InChIKeyXUAZXAWRIGJCQY-UHFFFAOYSA-N
XLogP0.75
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-ylpyridin-4-imine?
The IUPAC name of 1-pyrimidin-2-ylpyridin-4-imine (CID 3085363) is 1-pyrimidin-2-ylpyridin-4-imine.
What is the SMILES notation for 1-pyrimidin-2-ylpyridin-4-imine?
The canonical SMILES for 1-pyrimidin-2-ylpyridin-4-imine is [H]N=c1ccn(-c2ncccn2)cc1.
What is the InChIKey of 1-pyrimidin-2-ylpyridin-4-imine?
The InChIKey is XUAZXAWRIGJCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4/c10-8-2-6-13(7-3-8)9-11-4-1-5-12-9/h1-7,10H.
What are the key properties of 1-pyrimidin-2-ylpyridin-4-imine?
1-pyrimidin-2-ylpyridin-4-imine has a molecular weight of 172.19 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-ylpyridin-4-imine is sourced from PubChem (CID 3085363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).