5-(2,3-dichlorophenyl)pyrimidin-2-amine

C10H7Cl2N3 — CID 79022346

IUPAC5-(2,3-dichlorophenyl)pyrimidin-2-amine
SMILESNc1ncc(-c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C10H7Cl2N3/c11-8-3-1-2-7(9(8)12)6-4-14-10(13)15-5-6/h1-5H,(H2,13,14,15)
InChIKeyGITUFRQPDZOLCR-UHFFFAOYSA-N
MW240.09 g/mol
LogP3.03
Rot. Bonds1

About 5-(2,3-dichlorophenyl)pyrimidin-2-amine

5-(2,3-dichlorophenyl)pyrimidin-2-amine (PubChem CID 79022346) has the molecular formula C10H7Cl2N3 and a molecular weight of 240.09 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)pyrimidin-2-amine
PubChem CID79022346
Molecular FormulaC10H7Cl2N3
Molecular Weight240.09 g/mol
Exact Mass239.00
IUPAC Name5-(2,3-dichlorophenyl)pyrimidin-2-amine
SMILESNc1ncc(-c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C10H7Cl2N3/c11-8-3-1-2-7(9(8)12)6-4-14-10(13)15-5-6/h1-5H,(H2,13,14,15)
InChIKeyGITUFRQPDZOLCR-UHFFFAOYSA-N
XLogP3.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)pyrimidin-2-amine?
The IUPAC name of 5-(2,3-dichlorophenyl)pyrimidin-2-amine (CID 79022346) is 5-(2,3-dichlorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(2,3-dichlorophenyl)pyrimidin-2-amine?
The canonical SMILES for 5-(2,3-dichlorophenyl)pyrimidin-2-amine is Nc1ncc(-c2cccc(Cl)c2Cl)cn1.
What is the InChIKey of 5-(2,3-dichlorophenyl)pyrimidin-2-amine?
The InChIKey is GITUFRQPDZOLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3/c11-8-3-1-2-7(9(8)12)6-4-14-10(13)15-5-6/h1-5H,(H2,13,14,15).
What are the key properties of 5-(2,3-dichlorophenyl)pyrimidin-2-amine?
5-(2,3-dichlorophenyl)pyrimidin-2-amine has a molecular weight of 240.09 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 79022346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).