2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine

C22H27N5O2 — CID 10548612

IUPAC2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(C)nc(NCCCCc3ccccc3)n2)c(OC)c1
InChIInChI=1S/C22H27N5O2/c1-16-24-21(23-14-8-7-11-17-9-5-4-6-10-17)27-22(25-16)26-19-13-12-18(28-2)15-20(19)29-3/h4-6,9-10,12-13,15H,7-8,11,14H2,1-3H3,(H2,23,24,25,26,27)
InChIKeyGSSHFSCMUSLRJS-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.38
Rot. Bonds10

About 2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine

2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine (PubChem CID 10548612) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine
PubChem CID10548612
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(C)nc(NCCCCc3ccccc3)n2)c(OC)c1
InChIInChI=1S/C22H27N5O2/c1-16-24-21(23-14-8-7-11-17-9-5-4-6-10-17)27-22(25-16)26-19-13-12-18(28-2)15-20(19)29-3/h4-6,9-10,12-13,15H,7-8,11,14H2,1-3H3,(H2,23,24,25,26,27)
InChIKeyGSSHFSCMUSLRJS-UHFFFAOYSA-N
XLogP4.38
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(2,4-dimethoxyphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899399
2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
CID 10502161
4-N-(2,4-dimethoxyphenyl)-6-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874245
4-N-(4-methoxyphenyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112875784
2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112921379
4-N-benzyl-2-N-(2,4-dimethoxyphenyl)-4-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112918947
3-[[2-(2,4-dimethoxyanilino)quinazolin-4-yl]amino]propan-1-ol;hydrochloride
CID 52995704
4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876906
6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867967
4-N-[(4-methoxyphenyl)methyl]-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112872921
4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 10760798
5-N-(2,4-dimethoxyphenyl)-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954514

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine (CID 10548612) is 2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(C)nc(NCCCCc3ccccc3)n2)c(OC)c1.
What is the InChIKey of 2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GSSHFSCMUSLRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-16-24-21(23-14-8-7-11-17-9-5-4-6-10-17)27-22(25-16)26-19-13-12-18(28-2)15-20(19)29-3/h4-6,9-10,12-13,15H,7-8,11,14H2,1-3H3,(H2,23,24,25,26,27).
What are the key properties of 2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine?
2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 393.49 g/mol, XLogP of 4.38, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dimethoxyphenyl)-6-methyl-4-N-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10548612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).