4,6-dichloro-5-phenylpyrimidin-2-amine

C10H7Cl2N3 — CID 840767

IUPAC4,6-dichloro-5-phenylpyrimidin-2-amine
SMILESNc1nc(Cl)c(-c2ccccc2)c(Cl)n1
InChIInChI=1S/C10H7Cl2N3/c11-8-7(6-4-2-1-3-5-6)9(12)15-10(13)14-8/h1-5H,(H2,13,14,15)
InChIKeyYFXUIRSMMHPSLE-UHFFFAOYSA-N
MW240.09 g/mol
LogP3.03
Rot. Bonds1

About 4,6-dichloro-5-phenylpyrimidin-2-amine

4,6-dichloro-5-phenylpyrimidin-2-amine (PubChem CID 840767) has the molecular formula C10H7Cl2N3 and a molecular weight of 240.09 g/mol. Its IUPAC name is 4,6-dichloro-5-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-5-phenylpyrimidin-2-amine
PubChem CID840767
Molecular FormulaC10H7Cl2N3
Molecular Weight240.09 g/mol
Exact Mass239.00
IUPAC Name4,6-dichloro-5-phenylpyrimidin-2-amine
SMILESNc1nc(Cl)c(-c2ccccc2)c(Cl)n1
InChIInChI=1S/C10H7Cl2N3/c11-8-7(6-4-2-1-3-5-6)9(12)15-10(13)14-8/h1-5H,(H2,13,14,15)
InChIKeyYFXUIRSMMHPSLE-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 4,6-dichloro-5-phenylpyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-5-phenylpyrimidin-2-amine (CID 840767) is 4,6-dichloro-5-phenylpyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-5-phenylpyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-5-phenylpyrimidin-2-amine is Nc1nc(Cl)c(-c2ccccc2)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-phenylpyrimidin-2-amine?
The InChIKey is YFXUIRSMMHPSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3/c11-8-7(6-4-2-1-3-5-6)9(12)15-10(13)14-8/h1-5H,(H2,13,14,15).
What are the key properties of 4,6-dichloro-5-phenylpyrimidin-2-amine?
4,6-dichloro-5-phenylpyrimidin-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 4,6-dichloro-5-phenylpyrimidin-2-amine is sourced from PubChem (CID 840767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).