3-[4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzamide

C18H23N7O3 — CID 122658923

IUPAC3-[4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzamide
SMILESCN(C)C(=O)CNc1nc(-c2cccc(C(N)=O)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H23N7O3/c1-24(2)14(26)11-20-17-21-16(13-5-3-4-12(10-13)15(19)27)22-18(23-17)25-6-8-28-9-7-25/h3-5,10H,6-9,11H2,1-2H3,(H2,19,27)(H,20,21,22,23)
InChIKeyXZSWGAOOCZJEER-UHFFFAOYSA-N
MW385.43 g/mol
LogP-0.03
Rot. Bonds6

About 3-[4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzamide

3-[4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzamide (PubChem CID 122658923) has the molecular formula C18H23N7O3 and a molecular weight of 385.43 g/mol. Its IUPAC name is 3-[4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzamide.

Molecular Properties

Compound Name3-[4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzamide
PubChem CID122658923
Molecular FormulaC18H23N7O3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC Name3-[4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzamide
SMILESCN(C)C(=O)CNc1nc(-c2cccc(C(N)=O)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H23N7O3/c1-24(2)14(26)11-20-17-21-16(13-5-3-4-12(10-13)15(19)27)22-18(23-17)25-6-8-28-9-7-25/h3-5,10H,6-9,11H2,1-2H3,(H2,19,27)(H,20,21,22,23)
InChIKeyXZSWGAOOCZJEER-UHFFFAOYSA-N
XLogP-0.03
TPSA126.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]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

2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 80769709
1-[3-(6-morpholin-4-yl-1,2,4,5-tetrazin-3-yl)phenyl]ethanone
CID 16679907
2-N-ethyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 645138
2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide
CID 80769608
2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid
CID 4767395
ethyl 2-[[4-morpholin-4-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]acetate
CID 5244583
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methoxybenzamide
CID 118728549
3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol
CID 123635804
2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 62862989
2-anilino-N'-[4-[2-(2-anilinoacetyl)hydrazinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]acetohydrazide
CID 20994518
ethyl 2-[[2-(3-carbamoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-5-carboxylate
CID 66977854
3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide
CID 118438472

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzamide?
The IUPAC name of 3-[4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzamide (CID 122658923) is 3-[4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzamide.
What is the SMILES notation for 3-[4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzamide?
The canonical SMILES for 3-[4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzamide is CN(C)C(=O)CNc1nc(-c2cccc(C(N)=O)c2)nc(N2CCOCC2)n1.
What is the InChIKey of 3-[4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzamide?
The InChIKey is XZSWGAOOCZJEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O3/c1-24(2)14(26)11-20-17-21-16(13-5-3-4-12(10-13)15(19)27)22-18(23-17)25-6-8-28-9-7-25/h3-5,10H,6-9,11H2,1-2H3,(H2,19,27)(H,20,21,22,23).
What are the key properties of 3-[4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzamide?
3-[4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzamide has a molecular weight of 385.43 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]benzamide is sourced from PubChem (CID 122658923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).