2-N-(3-methylphenyl)-6-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine

C18H24N8O — CID 134696973

IUPAC2-N-(3-methylphenyl)-6-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(Nc2nc(N)nc(CN(C)Cc3nc(C(C)C)no3)n2)c1
InChIInChI=1S/C18H24N8O/c1-11(2)16-23-15(27-25-16)10-26(4)9-14-21-17(19)24-18(22-14)20-13-7-5-6-12(3)8-13/h5-8,11H,9-10H2,1-4H3,(H3,19,20,21,22,24)
InChIKeyAJJNGXWJJMBLAL-UHFFFAOYSA-N
MW368.45 g/mol
LogP2.64
Rot. Bonds7

About 2-N-(3-methylphenyl)-6-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine

2-N-(3-methylphenyl)-6-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 134696973) has the molecular formula C18H24N8O and a molecular weight of 368.45 g/mol. Its IUPAC name is 2-N-(3-methylphenyl)-6-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-methylphenyl)-6-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID134696973
Molecular FormulaC18H24N8O
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name2-N-(3-methylphenyl)-6-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(Nc2nc(N)nc(CN(C)Cc3nc(C(C)C)no3)n2)c1
InChIInChI=1S/C18H24N8O/c1-11(2)16-23-15(27-25-16)10-26(4)9-14-21-17(19)24-18(22-14)20-13-7-5-6-12(3)8-13/h5-8,11H,9-10H2,1-4H3,(H3,19,20,21,22,24)
InChIKeyAJJNGXWJJMBLAL-UHFFFAOYSA-N
XLogP2.64
TPSA118.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-(3-methylphenyl)-6-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(3-methylphenyl)-6-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine
CID 134708244
2-N-(3-methylphenyl)-6-[(4-methylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 667134
3-[[4-amino-6-[[benzyl(methyl)amino]methyl]-1,3,5-triazin-2-yl]amino]benzonitrile;6-[[benzyl(methyl)amino]methyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 157122704
2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 80755464
(4aR,6R,7aR)-6-[[4-amino-6-(3-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one
CID 135110175
6-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 4793369
6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80754961
6-[[(2-methoxy-5-methylphenyl)methyl-methylamino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 18094962
6-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 17489842
2-N-(3-methylphenyl)-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 6987526
1-(1,2-benzoxazol-3-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 171997378
6-[(1R)-1-[(3-methylphenyl)methylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 25408804

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylphenyl)-6-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-methylphenyl)-6-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine (CID 134696973) is 2-N-(3-methylphenyl)-6-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-methylphenyl)-6-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-methylphenyl)-6-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine is Cc1cccc(Nc2nc(N)nc(CN(C)Cc3nc(C(C)C)no3)n2)c1.
What is the InChIKey of 2-N-(3-methylphenyl)-6-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is AJJNGXWJJMBLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O/c1-11(2)16-23-15(27-25-16)10-26(4)9-14-21-17(19)24-18(22-14)20-13-7-5-6-12(3)8-13/h5-8,11H,9-10H2,1-4H3,(H3,19,20,21,22,24).
What are the key properties of 2-N-(3-methylphenyl)-6-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine?
2-N-(3-methylphenyl)-6-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 368.45 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylphenyl)-6-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 134696973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).