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

C10H7Cl2N3 — CID 736673

IUPAC4,6-dichloro-2-phenylpyrimidin-5-amine
SMILESNc1c(Cl)nc(-c2ccccc2)nc1Cl
InChIInChI=1S/C10H7Cl2N3/c11-8-7(13)9(12)15-10(14-8)6-4-2-1-3-5-6/h1-5H,13H2
InChIKeyWYMSKTBVPZTMHU-UHFFFAOYSA-N
MW240.09 g/mol
LogP3.03
Rot. Bonds1

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

4,6-dichloro-2-phenylpyrimidin-5-amine (PubChem CID 736673) has the molecular formula C10H7Cl2N3 and a molecular weight of 240.09 g/mol. Its IUPAC name is 4,6-dichloro-2-phenylpyrimidin-5-amine.

Molecular Properties

Compound Name4,6-dichloro-2-phenylpyrimidin-5-amine
PubChem CID736673
Molecular FormulaC10H7Cl2N3
Molecular Weight240.09 g/mol
Exact Mass239.00
IUPAC Name4,6-dichloro-2-phenylpyrimidin-5-amine
SMILESNc1c(Cl)nc(-c2ccccc2)nc1Cl
InChIInChI=1S/C10H7Cl2N3/c11-8-7(13)9(12)15-10(14-8)6-4-2-1-3-5-6/h1-5H,13H2
InChIKeyWYMSKTBVPZTMHU-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-2-phenylpyrimidin-5-amine?
The IUPAC name of 4,6-dichloro-2-phenylpyrimidin-5-amine (CID 736673) is 4,6-dichloro-2-phenylpyrimidin-5-amine.
What is the SMILES notation for 4,6-dichloro-2-phenylpyrimidin-5-amine?
The canonical SMILES for 4,6-dichloro-2-phenylpyrimidin-5-amine is Nc1c(Cl)nc(-c2ccccc2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-phenylpyrimidin-5-amine?
The InChIKey is WYMSKTBVPZTMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3/c11-8-7(13)9(12)15-10(14-8)6-4-2-1-3-5-6/h1-5H,13H2.
What are the key properties of 4,6-dichloro-2-phenylpyrimidin-5-amine?
4,6-dichloro-2-phenylpyrimidin-5-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-2-phenylpyrimidin-5-amine is sourced from PubChem (CID 736673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).