4-methyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]benzamide

C27H27N5O — CID 15990190

IUPAC4-methyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]benzamide
SMILESCc1ccc(Nc2nc(C)c(NC(=O)c3ccc(C)cc3)c(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C27H27N5O/c1-17-5-11-21(12-6-17)26(33)31-24-20(4)28-27(30-23-15-9-19(3)10-16-23)32-25(24)29-22-13-7-18(2)8-14-22/h5-16H,1-4H3,(H,31,33)(H2,28,29,30,32)
InChIKeySDOJWIFAHKEZJL-UHFFFAOYSA-N
MW437.55 g/mol
LogP6.45
Rot. Bonds6

About 4-methyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]benzamide

4-methyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]benzamide (PubChem CID 15990190) has the molecular formula C27H27N5O and a molecular weight of 437.55 g/mol. Its IUPAC name is 4-methyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]benzamide
PubChem CID15990190
Molecular FormulaC27H27N5O
Molecular Weight437.55 g/mol
Exact Mass437.22
IUPAC Name4-methyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]benzamide
SMILESCc1ccc(Nc2nc(C)c(NC(=O)c3ccc(C)cc3)c(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C27H27N5O/c1-17-5-11-21(12-6-17)26(33)31-24-20(4)28-27(30-23-15-9-19(3)10-16-23)32-25(24)29-22-13-7-18(2)8-14-22/h5-16H,1-4H3,(H,31,33)(H2,28,29,30,32)
InChIKeySDOJWIFAHKEZJL-UHFFFAOYSA-N
XLogP6.45
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.55
LogP ≤ 56.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]benzamide?
The IUPAC name of 4-methyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]benzamide (CID 15990190) is 4-methyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-methyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]benzamide is Cc1ccc(Nc2nc(C)c(NC(=O)c3ccc(C)cc3)c(Nc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 4-methyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]benzamide?
The InChIKey is SDOJWIFAHKEZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O/c1-17-5-11-21(12-6-17)26(33)31-24-20(4)28-27(30-23-15-9-19(3)10-16-23)32-25(24)29-22-13-7-18(2)8-14-22/h5-16H,1-4H3,(H,31,33)(H2,28,29,30,32).
What are the key properties of 4-methyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]benzamide?
4-methyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]benzamide has a molecular weight of 437.55 g/mol, XLogP of 6.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-methyl-2,6-bis(4-methylanilino)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 15990190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).