4-(2,4-dichlorophenyl)pyrimidin-2-amine

C10H7Cl2N3 — CID 4773592

IUPAC4-(2,4-dichlorophenyl)pyrimidin-2-amine
SMILESNc1nccc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C10H7Cl2N3/c11-6-1-2-7(8(12)5-6)9-3-4-14-10(13)15-9/h1-5H,(H2,13,14,15)
InChIKeyIIQPBSILLIMQBY-UHFFFAOYSA-N
MW240.09 g/mol
LogP3.03
Rot. Bonds1

About 4-(2,4-dichlorophenyl)pyrimidin-2-amine

4-(2,4-dichlorophenyl)pyrimidin-2-amine (PubChem CID 4773592) has the molecular formula C10H7Cl2N3 and a molecular weight of 240.09 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)pyrimidin-2-amine
PubChem CID4773592
Molecular FormulaC10H7Cl2N3
Molecular Weight240.09 g/mol
Exact Mass239.00
IUPAC Name4-(2,4-dichlorophenyl)pyrimidin-2-amine
SMILESNc1nccc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C10H7Cl2N3/c11-6-1-2-7(8(12)5-6)9-3-4-14-10(13)15-9/h1-5H,(H2,13,14,15)
InChIKeyIIQPBSILLIMQBY-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 4-(2,4-dichlorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)pyrimidin-2-amine (CID 4773592) is 4-(2,4-dichlorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)pyrimidin-2-amine is Nc1nccc(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 4-(2,4-dichlorophenyl)pyrimidin-2-amine?
The InChIKey is IIQPBSILLIMQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3/c11-6-1-2-7(8(12)5-6)9-3-4-14-10(13)15-9/h1-5H,(H2,13,14,15).
What are the key properties of 4-(2,4-dichlorophenyl)pyrimidin-2-amine?
4-(2,4-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 4-(2,4-dichlorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 4773592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).