4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine

C21H22N8O — CID 163440865

IUPAC4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine
SMILESCCc1nc2ccccc2n1-c1nc(Nc2ccncc2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H22N8O/c1-2-18-24-16-5-3-4-6-17(16)29(18)21-26-19(23-15-7-9-22-10-8-15)25-20(27-21)28-11-13-30-14-12-28/h3-10H,2,11-14H2,1H3,(H,22,23,25,26,27)
InChIKeyNSGPDWWOTYIPEC-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.75
Rot. Bonds5

About 4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine

4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine (PubChem CID 163440865) has the molecular formula C21H22N8O and a molecular weight of 402.46 g/mol. Its IUPAC name is 4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine
PubChem CID163440865
Molecular FormulaC21H22N8O
Molecular Weight402.46 g/mol
Exact Mass402.19
IUPAC Name4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine
SMILESCCc1nc2ccccc2n1-c1nc(Nc2ccncc2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H22N8O/c1-2-18-24-16-5-3-4-6-17(16)29(18)21-26-19(23-15-7-9-22-10-8-15)25-20(27-21)28-11-13-30-14-12-28/h3-10H,2,11-14H2,1H3,(H,22,23,25,26,27)
InChIKeyNSGPDWWOTYIPEC-UHFFFAOYSA-N
XLogP2.75
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine;fermium
CID 163440864
N'-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine
CID 159415308
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-N-[2-(dimethylamino)ethyl]-6-morpholin-4-yl-2-N-pyridin-4-yl-1,3,5-triazine-2,4-diamine
CID 171061531
5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 68779056
5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,5-diamine
CID 123166656
2-N-(4-chlorophenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 7192046
N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-3H-indol-6-amine
CID 158621311
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-(1H-inden-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 162159231
N-methyl-3-[[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide
CID 157179491
5-N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-N-(2-morpholin-4-ylethyl)pyridine-2,5-diamine
CID 123563431
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-pyridin-4-ylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66571001

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine (CID 163440865) is 4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine is CCc1nc2ccccc2n1-c1nc(Nc2ccncc2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is NSGPDWWOTYIPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O/c1-2-18-24-16-5-3-4-6-17(16)29(18)21-26-19(23-15-7-9-22-10-8-15)25-20(27-21)28-11-13-30-14-12-28/h3-10H,2,11-14H2,1H3,(H,22,23,25,26,27).
What are the key properties of 4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine?
4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 402.46 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 163440865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).