2-anilino-N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]acetamide

C24H18Cl2N4O — CID 46269882

IUPAC2-anilino-N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]acetamide
SMILESO=C(CNc1ccccc1)Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C24H18Cl2N4O/c25-18-10-6-16(7-11-18)21-14-22(17-8-12-19(26)13-9-17)29-24(28-21)30-23(31)15-27-20-4-2-1-3-5-20/h1-14,27H,15H2,(H,28,29,30,31)
InChIKeyDWQFEJVDMCYONH-UHFFFAOYSA-N
MW449.34 g/mol
LogP6.17
Rot. Bonds6

About 2-anilino-N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]acetamide

2-anilino-N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]acetamide (PubChem CID 46269882) has the molecular formula C24H18Cl2N4O and a molecular weight of 449.34 g/mol. Its IUPAC name is 2-anilino-N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]acetamide.

Molecular Properties

Compound Name2-anilino-N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]acetamide
PubChem CID46269882
Molecular FormulaC24H18Cl2N4O
Molecular Weight449.34 g/mol
Exact Mass448.09
IUPAC Name2-anilino-N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]acetamide
SMILESO=C(CNc1ccccc1)Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C24H18Cl2N4O/c25-18-10-6-16(7-11-18)21-14-22(17-8-12-19(26)13-9-17)29-24(28-21)30-23(31)15-27-20-4-2-1-3-5-20/h1-14,27H,15H2,(H,28,29,30,31)
InChIKeyDWQFEJVDMCYONH-UHFFFAOYSA-N
XLogP6.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.34
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]acetamide?
The IUPAC name of 2-anilino-N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]acetamide (CID 46269882) is 2-anilino-N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]acetamide.
What is the SMILES notation for 2-anilino-N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]acetamide?
The canonical SMILES for 2-anilino-N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]acetamide is O=C(CNc1ccccc1)Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-anilino-N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]acetamide?
The InChIKey is DWQFEJVDMCYONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N4O/c25-18-10-6-16(7-11-18)21-14-22(17-8-12-19(26)13-9-17)29-24(28-21)30-23(31)15-27-20-4-2-1-3-5-20/h1-14,27H,15H2,(H,28,29,30,31).
What are the key properties of 2-anilino-N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]acetamide?
2-anilino-N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]acetamide has a molecular weight of 449.34 g/mol, XLogP of 6.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]acetamide is sourced from PubChem (CID 46269882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).