4-pyridin-2-ylpyrimidin-2-amine

C9H8N4 — CID 2764599

IUPAC4-pyridin-2-ylpyrimidin-2-amine
SMILESNc1nccc(-c2ccccn2)n1
InChIInChI=1S/C9H8N4/c10-9-12-6-4-8(13-9)7-3-1-2-5-11-7/h1-6H,(H2,10,12,13)
InChIKeyRHXVSZXHWDQESH-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.12
Rot. Bonds1

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

4-pyridin-2-ylpyrimidin-2-amine (PubChem CID 2764599) has the molecular formula C9H8N4 and a molecular weight of 172.19 g/mol. Its IUPAC name is 4-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-pyridin-2-ylpyrimidin-2-amine
PubChem CID2764599
Molecular FormulaC9H8N4
Molecular Weight172.19 g/mol
Exact Mass172.07
IUPAC Name4-pyridin-2-ylpyrimidin-2-amine
SMILESNc1nccc(-c2ccccn2)n1
InChIInChI=1S/C9H8N4/c10-9-12-6-4-8(13-9)7-3-1-2-5-11-7/h1-6H,(H2,10,12,13)
InChIKeyRHXVSZXHWDQESH-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 4-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of 4-pyridin-2-ylpyrimidin-2-amine (CID 2764599) is 4-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-pyridin-2-ylpyrimidin-2-amine is Nc1nccc(-c2ccccn2)n1.
What is the InChIKey of 4-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is RHXVSZXHWDQESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4/c10-9-12-6-4-8(13-9)7-3-1-2-5-11-7/h1-6H,(H2,10,12,13).
What are the key properties of 4-pyridin-2-ylpyrimidin-2-amine?
4-pyridin-2-ylpyrimidin-2-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 4-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 2764599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).