4-N-(4-methoxy-2-methylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine

C14H20N6O — CID 80804494

IUPAC4-N-(4-methoxy-2-methylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(Nc2ccc(OC)cc2C)nc(N(C)C)n1
InChIInChI=1S/C14H20N6O/c1-9-8-10(21-5)6-7-11(9)16-13-17-12(15-2)18-14(19-13)20(3)4/h6-8H,1-5H3,(H2,15,16,17,18,19)
InChIKeyZQRNKLYCISXMII-UHFFFAOYSA-N
MW288.36 g/mol
LogP2.04
Rot. Bonds5

About 4-N-(4-methoxy-2-methylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine

4-N-(4-methoxy-2-methylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80804494) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 4-N-(4-methoxy-2-methylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(4-methoxy-2-methylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80804494
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name4-N-(4-methoxy-2-methylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(Nc2ccc(OC)cc2C)nc(N(C)C)n1
InChIInChI=1S/C14H20N6O/c1-9-8-10(21-5)6-7-11(9)16-13-17-12(15-2)18-14(19-13)20(3)4/h6-8H,1-5H3,(H2,15,16,17,18,19)
InChIKeyZQRNKLYCISXMII-UHFFFAOYSA-N
XLogP2.04
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-(4-methoxy-2-methylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80824739
4-N-(4-methoxy-2-methylphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80824828
2-N-(3-methoxyphenyl)-2-N,4-N,4-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
CID 80796248
4-N-(2-chloro-4-fluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80756294
4-N-(2-chloro-4-iodophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 107604708
2-N,2-N,6-N-trimethyl-4-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4,6-triamine
CID 80748181
4-N-(2,5-difluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80759355
5-iodo-N-(4-methoxy-2-methylphenyl)pyrimidin-2-amine
CID 116648971
4-N-(4-bromo-2,6-dimethylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80828707
4-N-(4-bromo-2,3-dichlorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 107794861
6-(3-fluoro-4-methylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 107171788
6-(2,5-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80864385

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxy-2-methylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(4-methoxy-2-methylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (CID 80804494) is 4-N-(4-methoxy-2-methylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(4-methoxy-2-methylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(4-methoxy-2-methylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is CNc1nc(Nc2ccc(OC)cc2C)nc(N(C)C)n1.
What is the InChIKey of 4-N-(4-methoxy-2-methylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ZQRNKLYCISXMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-9-8-10(21-5)6-7-11(9)16-13-17-12(15-2)18-14(19-13)20(3)4/h6-8H,1-5H3,(H2,15,16,17,18,19).
What are the key properties of 4-N-(4-methoxy-2-methylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-(4-methoxy-2-methylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 288.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxy-2-methylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80804494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).