4-(2,4-dichlorophenyl)-6-(3-ethoxyphenyl)pyrimidin-2-amine

C18H15Cl2N3O — CID 126962330

IUPAC4-(2,4-dichlorophenyl)-6-(3-ethoxyphenyl)pyrimidin-2-amine
SMILESCCOc1cccc(-c2cc(-c3ccc(Cl)cc3Cl)nc(N)n2)c1
InChIInChI=1S/C18H15Cl2N3O/c1-2-24-13-5-3-4-11(8-13)16-10-17(23-18(21)22-16)14-7-6-12(19)9-15(14)20/h3-10H,2H2,1H3,(H2,21,22,23)
InChIKeySXARFCBWCYPUJI-UHFFFAOYSA-N
MW360.24 g/mol
LogP5.10
Rot. Bonds4

About 4-(2,4-dichlorophenyl)-6-(3-ethoxyphenyl)pyrimidin-2-amine

4-(2,4-dichlorophenyl)-6-(3-ethoxyphenyl)pyrimidin-2-amine (PubChem CID 126962330) has the molecular formula C18H15Cl2N3O and a molecular weight of 360.24 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-6-(3-ethoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-6-(3-ethoxyphenyl)pyrimidin-2-amine
PubChem CID126962330
Molecular FormulaC18H15Cl2N3O
Molecular Weight360.24 g/mol
Exact Mass359.06
IUPAC Name4-(2,4-dichlorophenyl)-6-(3-ethoxyphenyl)pyrimidin-2-amine
SMILESCCOc1cccc(-c2cc(-c3ccc(Cl)cc3Cl)nc(N)n2)c1
InChIInChI=1S/C18H15Cl2N3O/c1-2-24-13-5-3-4-11(8-13)16-10-17(23-18(21)22-16)14-7-6-12(19)9-15(14)20/h3-10H,2H2,1H3,(H2,21,22,23)
InChIKeySXARFCBWCYPUJI-UHFFFAOYSA-N
XLogP5.10
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.24
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-6-(3-ethoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-6-(3-ethoxyphenyl)pyrimidin-2-amine (CID 126962330) is 4-(2,4-dichlorophenyl)-6-(3-ethoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-6-(3-ethoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-6-(3-ethoxyphenyl)pyrimidin-2-amine is CCOc1cccc(-c2cc(-c3ccc(Cl)cc3Cl)nc(N)n2)c1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-6-(3-ethoxyphenyl)pyrimidin-2-amine?
The InChIKey is SXARFCBWCYPUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O/c1-2-24-13-5-3-4-11(8-13)16-10-17(23-18(21)22-16)14-7-6-12(19)9-15(14)20/h3-10H,2H2,1H3,(H2,21,22,23).
What are the key properties of 4-(2,4-dichlorophenyl)-6-(3-ethoxyphenyl)pyrimidin-2-amine?
4-(2,4-dichlorophenyl)-6-(3-ethoxyphenyl)pyrimidin-2-amine has a molecular weight of 360.24 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-6-(3-ethoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 126962330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).