6-ethoxy-2-N-[(4-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine

C14H19N5O2 — CID 80771579

IUPAC6-ethoxy-2-N-[(4-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(NCc2ccc(OC)cc2)n1
InChIInChI=1S/C14H19N5O2/c1-4-21-14-18-12(15-2)17-13(19-14)16-9-10-5-7-11(20-3)8-6-10/h5-8H,4,9H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyHHFZHWZIGSGXLZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.93
Rot. Bonds7

About 6-ethoxy-2-N-[(4-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N-[(4-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80771579) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-ethoxy-2-N-[(4-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-[(4-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80771579
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name6-ethoxy-2-N-[(4-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(NCc2ccc(OC)cc2)n1
InChIInChI=1S/C14H19N5O2/c1-4-21-14-18-12(15-2)17-13(19-14)16-9-10-5-7-11(20-3)8-6-10/h5-8H,4,9H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyHHFZHWZIGSGXLZ-UHFFFAOYSA-N
XLogP1.93
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethoxy-2-N-[(4-fluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80777450
2-N-[(3-chlorophenyl)methyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80832203
6-ethoxy-4-N-methyl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80791524
4-ethoxy-N,6-bis[(4-prop-2-enoxyphenyl)methyl]-1,3,5-triazin-2-amine
CID 58223073
4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112636470
2-[4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile
CID 80865498
2-N-[(5-bromothiophen-2-yl)methyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80836556
2-N-(4-methoxyphenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80758431
4-[[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]methyl]benzonitrile
CID 80904070
6-ethoxy-4-N-[(4-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 58040288
5-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 115620538
4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine
CID 80859346

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-[(4-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-[(4-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80771579) is 6-ethoxy-2-N-[(4-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-[(4-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-[(4-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine is CCOc1nc(NC)nc(NCc2ccc(OC)cc2)n1.
What is the InChIKey of 6-ethoxy-2-N-[(4-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HHFZHWZIGSGXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-21-14-18-12(15-2)17-13(19-14)16-9-10-5-7-11(20-3)8-6-10/h5-8H,4,9H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 6-ethoxy-2-N-[(4-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-[(4-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 289.34 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-[(4-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80771579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).