6-(3,4-dichlorophenyl)pyrimidin-4-amine

C10H7Cl2N3 — CID 50972207

IUPAC6-(3,4-dichlorophenyl)pyrimidin-4-amine
SMILESNc1cc(-c2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C10H7Cl2N3/c11-7-2-1-6(3-8(7)12)9-4-10(13)15-5-14-9/h1-5H,(H2,13,14,15)
InChIKeyBFICDVHTQOFGHR-UHFFFAOYSA-N
MW240.09 g/mol
LogP3.03
Rot. Bonds1

About 6-(3,4-dichlorophenyl)pyrimidin-4-amine

6-(3,4-dichlorophenyl)pyrimidin-4-amine (PubChem CID 50972207) has the molecular formula C10H7Cl2N3 and a molecular weight of 240.09 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)pyrimidin-4-amine
PubChem CID50972207
Molecular FormulaC10H7Cl2N3
Molecular Weight240.09 g/mol
Exact Mass239.00
IUPAC Name6-(3,4-dichlorophenyl)pyrimidin-4-amine
SMILESNc1cc(-c2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C10H7Cl2N3/c11-7-2-1-6(3-8(7)12)9-4-10(13)15-5-14-9/h1-5H,(H2,13,14,15)
InChIKeyBFICDVHTQOFGHR-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 6-(3,4-dichlorophenyl)pyrimidin-4-amine?
The IUPAC name of 6-(3,4-dichlorophenyl)pyrimidin-4-amine (CID 50972207) is 6-(3,4-dichlorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dichlorophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dichlorophenyl)pyrimidin-4-amine is Nc1cc(-c2ccc(Cl)c(Cl)c2)ncn1.
What is the InChIKey of 6-(3,4-dichlorophenyl)pyrimidin-4-amine?
The InChIKey is BFICDVHTQOFGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3/c11-7-2-1-6(3-8(7)12)9-4-10(13)15-5-14-9/h1-5H,(H2,13,14,15).
What are the key properties of 6-(3,4-dichlorophenyl)pyrimidin-4-amine?
6-(3,4-dichlorophenyl)pyrimidin-4-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 6-(3,4-dichlorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 50972207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).