3-(2H-pyrimidin-1-yl)pyridin-2-amine

C9H10N4 — CID 118278459

IUPAC3-(2H-pyrimidin-1-yl)pyridin-2-amine
SMILESNc1ncccc1N1C=CC=NC1
InChIInChI=1S/C9H10N4/c10-9-8(3-1-5-12-9)13-6-2-4-11-7-13/h1-6H,7H2,(H2,10,12)
InChIKeyXZCYFQAEFRQZNO-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.03
Rot. Bonds1

About 3-(2H-pyrimidin-1-yl)pyridin-2-amine

3-(2H-pyrimidin-1-yl)pyridin-2-amine (PubChem CID 118278459) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 3-(2H-pyrimidin-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(2H-pyrimidin-1-yl)pyridin-2-amine
PubChem CID118278459
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name3-(2H-pyrimidin-1-yl)pyridin-2-amine
SMILESNc1ncccc1N1C=CC=NC1
InChIInChI=1S/C9H10N4/c10-9-8(3-1-5-12-9)13-6-2-4-11-7-13/h1-6H,7H2,(H2,10,12)
InChIKeyXZCYFQAEFRQZNO-UHFFFAOYSA-N
XLogP1.03
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-pyrimidin-1-yl)pyridin-2-amine?
The IUPAC name of 3-(2H-pyrimidin-1-yl)pyridin-2-amine (CID 118278459) is 3-(2H-pyrimidin-1-yl)pyridin-2-amine.
What is the SMILES notation for 3-(2H-pyrimidin-1-yl)pyridin-2-amine?
The canonical SMILES for 3-(2H-pyrimidin-1-yl)pyridin-2-amine is Nc1ncccc1N1C=CC=NC1.
What is the InChIKey of 3-(2H-pyrimidin-1-yl)pyridin-2-amine?
The InChIKey is XZCYFQAEFRQZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c10-9-8(3-1-5-12-9)13-6-2-4-11-7-13/h1-6H,7H2,(H2,10,12).
What are the key properties of 3-(2H-pyrimidin-1-yl)pyridin-2-amine?
3-(2H-pyrimidin-1-yl)pyridin-2-amine has a molecular weight of 174.21 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-pyrimidin-1-yl)pyridin-2-amine is sourced from PubChem (CID 118278459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).