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

C13H18N6O — CID 80816631

IUPAC2-N-(4-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(N(C)c2nc(N)nc(N(C)C)n2)cc1
InChIInChI=1S/C13H18N6O/c1-18(2)12-15-11(14)16-13(17-12)19(3)9-5-7-10(20-4)8-6-9/h5-8H,1-4H3,(H2,14,15,16,17)
InChIKeyVNTLTOVRLJDMQS-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.30
Rot. Bonds4

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

2-N-(4-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80816631) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-N-(4-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(4-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80816631
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-N-(4-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(N(C)c2nc(N)nc(N(C)C)n2)cc1
InChIInChI=1S/C13H18N6O/c1-18(2)12-15-11(14)16-13(17-12)19(3)9-5-7-10(20-4)8-6-9/h5-8H,1-4H3,(H2,14,15,16,17)
InChIKeyVNTLTOVRLJDMQS-UHFFFAOYSA-N
XLogP1.30
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(4-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine (CID 80816631) is 2-N-(4-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(4-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(4-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine is COc1ccc(N(C)c2nc(N)nc(N(C)C)n2)cc1.
What is the InChIKey of 2-N-(4-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is VNTLTOVRLJDMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-18(2)12-15-11(14)16-13(17-12)19(3)9-5-7-10(20-4)8-6-9/h5-8H,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-N-(4-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
2-N-(4-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 274.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80816631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).