2-pyridin-4-ylpyrimidin-4-amine

C9H8N4 — CID 2804233

IUPAC2-pyridin-4-ylpyrimidin-4-amine
SMILESNc1ccnc(-c2ccncc2)n1
InChIInChI=1S/C9H8N4/c10-8-3-6-12-9(13-8)7-1-4-11-5-2-7/h1-6H,(H2,10,12,13)
InChIKeyAFNZWLWIUXHAIW-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.12
Rot. Bonds1

About 2-pyridin-4-ylpyrimidin-4-amine

2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 2804233) has the molecular formula C9H8N4 and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-pyridin-4-ylpyrimidin-4-amine
PubChem CID2804233
Molecular FormulaC9H8N4
Molecular Weight172.19 g/mol
Exact Mass172.07
IUPAC Name2-pyridin-4-ylpyrimidin-4-amine
SMILESNc1ccnc(-c2ccncc2)n1
InChIInChI=1S/C9H8N4/c10-8-3-6-12-9(13-8)7-1-4-11-5-2-7/h1-6H,(H2,10,12,13)
InChIKeyAFNZWLWIUXHAIW-UHFFFAOYSA-N
XLogP1.12
TPSA64.69 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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-pyridin-4-ylpyrimidin-4-amine (CID 2804233) is 2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-pyridin-4-ylpyrimidin-4-amine is Nc1ccnc(-c2ccncc2)n1.
What is the InChIKey of 2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is AFNZWLWIUXHAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4/c10-8-3-6-12-9(13-8)7-1-4-11-5-2-7/h1-6H,(H2,10,12,13).
What are the key properties of 2-pyridin-4-ylpyrimidin-4-amine?
2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 172.19 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 2804233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).