N-methyl-3-[[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide

C19H24N8O2 — CID 157179491

IUPACN-methyl-3-[[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide
SMILESCNC(=O)CCNc1nc(N2CCOCC2)nc(-n2c(C)nc3ccccc32)n1
InChIInChI=1S/C19H24N8O2/c1-13-22-14-5-3-4-6-15(14)27(13)19-24-17(21-8-7-16(28)20-2)23-18(25-19)26-9-11-29-12-10-26/h3-6H,7-12H2,1-2H3,(H,20,28)(H,21,23,24,25)
InChIKeyAOKBKSQDSUKQFC-UHFFFAOYSA-N
MW396.46 g/mol
LogP0.90
Rot. Bonds6

About N-methyl-3-[[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide

N-methyl-3-[[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide (PubChem CID 157179491) has the molecular formula C19H24N8O2 and a molecular weight of 396.46 g/mol. Its IUPAC name is N-methyl-3-[[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide
PubChem CID157179491
Molecular FormulaC19H24N8O2
Molecular Weight396.46 g/mol
Exact Mass396.20
IUPAC NameN-methyl-3-[[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide
SMILESCNC(=O)CCNc1nc(N2CCOCC2)nc(-n2c(C)nc3ccccc32)n1
InChIInChI=1S/C19H24N8O2/c1-13-22-14-5-3-4-6-15(14)27(13)19-24-17(21-8-7-16(28)20-2)23-18(25-19)26-9-11-29-12-10-26/h3-6H,7-12H2,1-2H3,(H,20,28)(H,21,23,24,25)
InChIKeyAOKBKSQDSUKQFC-UHFFFAOYSA-N
XLogP0.90
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N'-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine
CID 159415308
N-methyl-3-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide
CID 80792732
N-methyl-4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyrimidin-5-yl-1,3,5-triazin-2-amine
CID 70802127
4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine
CID 163440865
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66570855
(2S)-1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-2-(methylamino)propan-1-one
CID 71527008
4-[2-[[4-[2-(fluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propan-2-yl]phenol
CID 70810466
4-[4-[2-(hydroxymethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 11955487
N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-methoxyacetamide
CID 67980102
3-[(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-1-pyrrol-1-ylpropan-1-one
CID 164595905
1-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]butan-2-one
CID 159700704
2-[6-(2-methylbenzimidazol-1-yl)-2-morpholin-4-ylpurin-9-yl]ethanol
CID 44608908

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide?
The IUPAC name of N-methyl-3-[[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide (CID 157179491) is N-methyl-3-[[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide.
What is the SMILES notation for N-methyl-3-[[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide?
The canonical SMILES for N-methyl-3-[[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide is CNC(=O)CCNc1nc(N2CCOCC2)nc(-n2c(C)nc3ccccc32)n1.
What is the InChIKey of N-methyl-3-[[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide?
The InChIKey is AOKBKSQDSUKQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O2/c1-13-22-14-5-3-4-6-15(14)27(13)19-24-17(21-8-7-16(28)20-2)23-18(25-19)26-9-11-29-12-10-26/h3-6H,7-12H2,1-2H3,(H,20,28)(H,21,23,24,25).
What are the key properties of N-methyl-3-[[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide?
N-methyl-3-[[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide has a molecular weight of 396.46 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide is sourced from PubChem (CID 157179491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).