N-ethyl-2-methyl-4-[[5-methyl-4-[1,3-oxazol-5-yl-(6-oxocyclohexa-1,3-dien-1-yl)amino]pyrimidin-2-yl]amino]benzamide

C24H24N6O3 — CID 118352961

IUPACN-ethyl-2-methyl-4-[[5-methyl-4-[1,3-oxazol-5-yl-(6-oxocyclohexa-1,3-dien-1-yl)amino]pyrimidin-2-yl]amino]benzamide
SMILESCCNC(=O)c1ccc(Nc2ncc(C)c(N(C3=CC=CCC3=O)c3cnco3)n2)cc1C
InChIInChI=1S/C24H24N6O3/c1-4-26-23(32)18-10-9-17(11-15(18)2)28-24-27-12-16(3)22(29-24)30(21-13-25-14-33-21)19-7-5-6-8-20(19)31/h5-7,9-14H,4,8H2,1-3H3,(H,26,32)(H,27,28,29)
InChIKeySODILLSITTUKPT-UHFFFAOYSA-N
MW444.50 g/mol
LogP4.13
Rot. Bonds7

About N-ethyl-2-methyl-4-[[5-methyl-4-[1,3-oxazol-5-yl-(6-oxocyclohexa-1,3-dien-1-yl)amino]pyrimidin-2-yl]amino]benzamide

N-ethyl-2-methyl-4-[[5-methyl-4-[1,3-oxazol-5-yl-(6-oxocyclohexa-1,3-dien-1-yl)amino]pyrimidin-2-yl]amino]benzamide (PubChem CID 118352961) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-ethyl-2-methyl-4-[[5-methyl-4-[1,3-oxazol-5-yl-(6-oxocyclohexa-1,3-dien-1-yl)amino]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-4-[[5-methyl-4-[1,3-oxazol-5-yl-(6-oxocyclohexa-1,3-dien-1-yl)amino]pyrimidin-2-yl]amino]benzamide
PubChem CID118352961
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC NameN-ethyl-2-methyl-4-[[5-methyl-4-[1,3-oxazol-5-yl-(6-oxocyclohexa-1,3-dien-1-yl)amino]pyrimidin-2-yl]amino]benzamide
SMILESCCNC(=O)c1ccc(Nc2ncc(C)c(N(C3=CC=CCC3=O)c3cnco3)n2)cc1C
InChIInChI=1S/C24H24N6O3/c1-4-26-23(32)18-10-9-17(11-15(18)2)28-24-27-12-16(3)22(29-24)30(21-13-25-14-33-21)19-7-5-6-8-20(19)31/h5-7,9-14H,4,8H2,1-3H3,(H,26,32)(H,27,28,29)
InChIKeySODILLSITTUKPT-UHFFFAOYSA-N
XLogP4.13
TPSA113.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-ethyl-2-methyl-4-[[5-methyl-4-[1,3-oxazol-5-yl-(6-oxocyclohexa-1,3-dien-1-yl)amino]pyrimidin-2-yl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5R)-3-[2-[4-(ethylcarbamoyl)-3-methylanilino]-5-fluoropyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 118878216
N-[1-[5-[[4-[2-hydroxy-N-(1,3-oxazol-5-yl)anilino]-5-methylpyrimidin-2-yl]amino]-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 123311160
3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide
CID 157018298
4-[[4-amino-5-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidin-2-yl]amino]-N,N,2-trimethylbenzamide
CID 167517548
4-[[4-amino-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]-N,N,2-trimethylbenzamide;2-phenylethanol
CID 167517391
N-ethyl-N-[2-methyl-5-[[6-(2-methyl-6-oxocyclohexa-1,3-dien-1-yl)quinazolin-2-yl]amino]phenyl]prop-2-enamide
CID 163557184
4-[[4-amino-5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]-N,N,2-trimethylbenzamide
CID 167517039
N-(2-cyclopentylethyl)-2-(3,4-dichloroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 69040190
1-[5-[[4-(4-amino-N-methylanilino)-5-fluoropyrimidin-2-yl]amino]-2-methylphenyl]propan-1-one
CID 158161368
4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-ethylbenzamide
CID 146252488
1-[4-[[2-(4-acetylanilino)-5-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 5271605
4-[(6-chloropyrazin-2-yl)amino]-2-methylbenzoic acid
CID 114335396

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-4-[[5-methyl-4-[1,3-oxazol-5-yl-(6-oxocyclohexa-1,3-dien-1-yl)amino]pyrimidin-2-yl]amino]benzamide?
The IUPAC name of N-ethyl-2-methyl-4-[[5-methyl-4-[1,3-oxazol-5-yl-(6-oxocyclohexa-1,3-dien-1-yl)amino]pyrimidin-2-yl]amino]benzamide (CID 118352961) is N-ethyl-2-methyl-4-[[5-methyl-4-[1,3-oxazol-5-yl-(6-oxocyclohexa-1,3-dien-1-yl)amino]pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for N-ethyl-2-methyl-4-[[5-methyl-4-[1,3-oxazol-5-yl-(6-oxocyclohexa-1,3-dien-1-yl)amino]pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for N-ethyl-2-methyl-4-[[5-methyl-4-[1,3-oxazol-5-yl-(6-oxocyclohexa-1,3-dien-1-yl)amino]pyrimidin-2-yl]amino]benzamide is CCNC(=O)c1ccc(Nc2ncc(C)c(N(C3=CC=CCC3=O)c3cnco3)n2)cc1C.
What is the InChIKey of N-ethyl-2-methyl-4-[[5-methyl-4-[1,3-oxazol-5-yl-(6-oxocyclohexa-1,3-dien-1-yl)amino]pyrimidin-2-yl]amino]benzamide?
The InChIKey is SODILLSITTUKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-4-26-23(32)18-10-9-17(11-15(18)2)28-24-27-12-16(3)22(29-24)30(21-13-25-14-33-21)19-7-5-6-8-20(19)31/h5-7,9-14H,4,8H2,1-3H3,(H,26,32)(H,27,28,29).
What are the key properties of N-ethyl-2-methyl-4-[[5-methyl-4-[1,3-oxazol-5-yl-(6-oxocyclohexa-1,3-dien-1-yl)amino]pyrimidin-2-yl]amino]benzamide?
N-ethyl-2-methyl-4-[[5-methyl-4-[1,3-oxazol-5-yl-(6-oxocyclohexa-1,3-dien-1-yl)amino]pyrimidin-2-yl]amino]benzamide has a molecular weight of 444.50 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-4-[[5-methyl-4-[1,3-oxazol-5-yl-(6-oxocyclohexa-1,3-dien-1-yl)amino]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 118352961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).