5-chloropyrimidin-4-amine

C4H4ClN3 — CID 22640050

IUPAC5-chloropyrimidin-4-amine
SMILESNc1ncncc1Cl
InChIInChI=1S/C4H4ClN3/c5-3-1-7-2-8-4(3)6/h1-2H,(H2,6,7,8)
InChIKeyLQNBBHICRUONJT-UHFFFAOYSA-N
MW129.55 g/mol
LogP0.71
Rot. Bonds

About 5-chloropyrimidin-4-amine

5-chloropyrimidin-4-amine (PubChem CID 22640050) has the molecular formula C4H4ClN3 and a molecular weight of 129.55 g/mol. Its IUPAC name is 5-chloropyrimidin-4-amine.

Molecular Properties

Compound Name5-chloropyrimidin-4-amine
PubChem CID22640050
Molecular FormulaC4H4ClN3
Molecular Weight129.55 g/mol
Exact Mass129.01
IUPAC Name5-chloropyrimidin-4-amine
SMILESNc1ncncc1Cl
InChIInChI=1S/C4H4ClN3/c5-3-1-7-2-8-4(3)6/h1-2H,(H2,6,7,8)
InChIKeyLQNBBHICRUONJT-UHFFFAOYSA-N
XLogP0.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.55
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloropyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloropyrimidin-4-amine?
The IUPAC name of 5-chloropyrimidin-4-amine (CID 22640050) is 5-chloropyrimidin-4-amine.
What is the SMILES notation for 5-chloropyrimidin-4-amine?
The canonical SMILES for 5-chloropyrimidin-4-amine is Nc1ncncc1Cl.
What is the InChIKey of 5-chloropyrimidin-4-amine?
The InChIKey is LQNBBHICRUONJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClN3/c5-3-1-7-2-8-4(3)6/h1-2H,(H2,6,7,8).
What are the key properties of 5-chloropyrimidin-4-amine?
5-chloropyrimidin-4-amine has a molecular weight of 129.55 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloropyrimidin-4-amine is sourced from PubChem (CID 22640050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).