4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide

C21H22N4O — CID 142145525

IUPAC4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide
SMILESCc1ccc(-c2ccnc(Nc3ccc(C(=O)NC(C)C)cc3)n2)cc1
InChIInChI=1S/C21H22N4O/c1-14(2)23-20(26)17-8-10-18(11-9-17)24-21-22-13-12-19(25-21)16-6-4-15(3)5-7-16/h4-14H,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyXDLTYJRTMLZFTB-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.33
Rot. Bonds5

About 4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide

4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide (PubChem CID 142145525) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide
PubChem CID142145525
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide
SMILESCc1ccc(-c2ccnc(Nc3ccc(C(=O)NC(C)C)cc3)n2)cc1
InChIInChI=1S/C21H22N4O/c1-14(2)23-20(26)17-8-10-18(11-9-17)24-21-22-13-12-19(25-21)16-6-4-15(3)5-7-16/h4-14H,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyXDLTYJRTMLZFTB-UHFFFAOYSA-N
XLogP4.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzamide
CID 10221937
2-methyl-3-[2-[4-(propan-2-ylcarbamoyl)anilino]pyrimidin-4-yl]benzamide
CID 68870589
N-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide
CID 58716978
4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide
CID 10090314
methyl 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoate
CID 68901316
N-(cyanomethyl)-4-[2-(4-iodoanilino)pyrimidin-4-yl]benzamide
CID 25061687
4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-(4-methoxy-2-methylphenyl)benzamide
CID 58716815
[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 58599465
4-[[4-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)quinazolin-6-yl]pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide
CID 169265881
4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide
CID 69235477
N-[1-[2-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]ethyl]benzamide
CID 140543628
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 58599486

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide (CID 142145525) is 4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide is Cc1ccc(-c2ccnc(Nc3ccc(C(=O)NC(C)C)cc3)n2)cc1.
What is the InChIKey of 4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide?
The InChIKey is XDLTYJRTMLZFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14(2)23-20(26)17-8-10-18(11-9-17)24-21-22-13-12-19(25-21)16-6-4-15(3)5-7-16/h4-14H,1-3H3,(H,23,26)(H,22,24,25).
What are the key properties of 4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide?
4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide has a molecular weight of 346.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 142145525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).