N-(2,4-dianilino-6-methylpyrimidin-5-yl)-2-methylbenzamide

C25H23N5O — CID 15990358

IUPACN-(2,4-dianilino-6-methylpyrimidin-5-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1c(C)nc(Nc2ccccc2)nc1Nc1ccccc1
InChIInChI=1S/C25H23N5O/c1-17-11-9-10-16-21(17)24(31)29-22-18(2)26-25(28-20-14-7-4-8-15-20)30-23(22)27-19-12-5-3-6-13-19/h3-16H,1-2H3,(H,29,31)(H2,26,27,28,30)
InChIKeyJDNPAEKXFFJYMZ-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.83
Rot. Bonds6

About N-(2,4-dianilino-6-methylpyrimidin-5-yl)-2-methylbenzamide

N-(2,4-dianilino-6-methylpyrimidin-5-yl)-2-methylbenzamide (PubChem CID 15990358) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(2,4-dianilino-6-methylpyrimidin-5-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2,4-dianilino-6-methylpyrimidin-5-yl)-2-methylbenzamide
PubChem CID15990358
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC NameN-(2,4-dianilino-6-methylpyrimidin-5-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1c(C)nc(Nc2ccccc2)nc1Nc1ccccc1
InChIInChI=1S/C25H23N5O/c1-17-11-9-10-16-21(17)24(31)29-22-18(2)26-25(28-20-14-7-4-8-15-20)30-23(22)27-19-12-5-3-6-13-19/h3-16H,1-2H3,(H,29,31)(H2,26,27,28,30)
InChIKeyJDNPAEKXFFJYMZ-UHFFFAOYSA-N
XLogP5.83
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dianilino-6-methylpyrimidin-5-yl)-2-methylbenzamide?
The IUPAC name of N-(2,4-dianilino-6-methylpyrimidin-5-yl)-2-methylbenzamide (CID 15990358) is N-(2,4-dianilino-6-methylpyrimidin-5-yl)-2-methylbenzamide.
What is the SMILES notation for N-(2,4-dianilino-6-methylpyrimidin-5-yl)-2-methylbenzamide?
The canonical SMILES for N-(2,4-dianilino-6-methylpyrimidin-5-yl)-2-methylbenzamide is Cc1ccccc1C(=O)Nc1c(C)nc(Nc2ccccc2)nc1Nc1ccccc1.
What is the InChIKey of N-(2,4-dianilino-6-methylpyrimidin-5-yl)-2-methylbenzamide?
The InChIKey is JDNPAEKXFFJYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-17-11-9-10-16-21(17)24(31)29-22-18(2)26-25(28-20-14-7-4-8-15-20)30-23(22)27-19-12-5-3-6-13-19/h3-16H,1-2H3,(H,29,31)(H2,26,27,28,30).
What are the key properties of N-(2,4-dianilino-6-methylpyrimidin-5-yl)-2-methylbenzamide?
N-(2,4-dianilino-6-methylpyrimidin-5-yl)-2-methylbenzamide has a molecular weight of 409.49 g/mol, XLogP of 5.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dianilino-6-methylpyrimidin-5-yl)-2-methylbenzamide is sourced from PubChem (CID 15990358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).