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

C23H17Cl2N3O — CID 171353446

IUPAC4-(2,4-dichlorophenyl)-6-(3-phenylmethoxyphenyl)pyrimidin-2-amine
SMILESNc1nc(-c2cccc(OCc3ccccc3)c2)cc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C23H17Cl2N3O/c24-17-9-10-19(20(25)12-17)22-13-21(27-23(26)28-22)16-7-4-8-18(11-16)29-14-15-5-2-1-3-6-15/h1-13H,14H2,(H2,26,27,28)
InChIKeyBFAJAWNTZHFNRO-UHFFFAOYSA-N
MW422.32 g/mol
LogP6.28
Rot. Bonds5

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

4-(2,4-dichlorophenyl)-6-(3-phenylmethoxyphenyl)pyrimidin-2-amine (PubChem CID 171353446) has the molecular formula C23H17Cl2N3O and a molecular weight of 422.32 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-6-(3-phenylmethoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-6-(3-phenylmethoxyphenyl)pyrimidin-2-amine
PubChem CID171353446
Molecular FormulaC23H17Cl2N3O
Molecular Weight422.32 g/mol
Exact Mass421.07
IUPAC Name4-(2,4-dichlorophenyl)-6-(3-phenylmethoxyphenyl)pyrimidin-2-amine
SMILESNc1nc(-c2cccc(OCc3ccccc3)c2)cc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C23H17Cl2N3O/c24-17-9-10-19(20(25)12-17)22-13-21(27-23(26)28-22)16-7-4-8-18(11-16)29-14-15-5-2-1-3-6-15/h1-13H,14H2,(H2,26,27,28)
InChIKeyBFAJAWNTZHFNRO-UHFFFAOYSA-N
XLogP6.28
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.32
LogP ≤ 56.28
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-phenylmethoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-6-(3-phenylmethoxyphenyl)pyrimidin-2-amine (CID 171353446) is 4-(2,4-dichlorophenyl)-6-(3-phenylmethoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-6-(3-phenylmethoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-6-(3-phenylmethoxyphenyl)pyrimidin-2-amine is Nc1nc(-c2cccc(OCc3ccccc3)c2)cc(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-6-(3-phenylmethoxyphenyl)pyrimidin-2-amine?
The InChIKey is BFAJAWNTZHFNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O/c24-17-9-10-19(20(25)12-17)22-13-21(27-23(26)28-22)16-7-4-8-18(11-16)29-14-15-5-2-1-3-6-15/h1-13H,14H2,(H2,26,27,28).
What are the key properties of 4-(2,4-dichlorophenyl)-6-(3-phenylmethoxyphenyl)pyrimidin-2-amine?
4-(2,4-dichlorophenyl)-6-(3-phenylmethoxyphenyl)pyrimidin-2-amine has a molecular weight of 422.32 g/mol, XLogP of 6.28, 5 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-phenylmethoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 171353446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).