4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide

C20H21N5O — CID 22398430

IUPAC4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide
SMILESCc1cc(C)c(Nc2ccnc(Nc3ccc(C(N)=O)cc3)n2)c(C)c1
InChIInChI=1S/C20H21N5O/c1-12-10-13(2)18(14(3)11-12)24-17-8-9-22-20(25-17)23-16-6-4-15(5-7-16)19(21)26/h4-11H,1-3H3,(H2,21,26)(H2,22,23,24,25)
InChIKeyBKXUZQUTEZBQIW-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.99
Rot. Bonds5

About 4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide

4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide (PubChem CID 22398430) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide
PubChem CID22398430
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide
SMILESCc1cc(C)c(Nc2ccnc(Nc3ccc(C(N)=O)cc3)n2)c(C)c1
InChIInChI=1S/C20H21N5O/c1-12-10-13(2)18(14(3)11-12)24-17-8-9-22-20(25-17)23-16-6-4-15(5-7-16)19(21)26/h4-11H,1-3H3,(H2,21,26)(H2,22,23,24,25)
InChIKeyBKXUZQUTEZBQIW-UHFFFAOYSA-N
XLogP3.99
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

CID 5291
CID 5291
CID 214347
CID 214347
CID 6451164
CID 6451164
CID 11711114
CID 11711114
CID 68801
CID 68801
CID 57340686
CID 57340686
CID 448605
CID 448605
CID 81976
CID 81976
CID 9869737
CID 9869737
CID 24858111
CID 24858111
CID 53374963
CID 53374963
CID 5270788
CID 5270788

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide (CID 22398430) is 4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide is Cc1cc(C)c(Nc2ccnc(Nc3ccc(C(N)=O)cc3)n2)c(C)c1.
What is the InChIKey of 4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide?
The InChIKey is BKXUZQUTEZBQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-12-10-13(2)18(14(3)11-12)24-17-8-9-22-20(25-17)23-16-6-4-15(5-7-16)19(21)26/h4-11H,1-3H3,(H2,21,26)(H2,22,23,24,25).
What are the key properties of 4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide?
4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide has a molecular weight of 347.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 22398430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).