6-[4-(4-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine

C16H15N5O — CID 745572

IUPAC6-[4-(4-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Oc2ccc(-c3nc(N)nc(N)n3)cc2)cc1
InChIInChI=1S/C16H15N5O/c1-10-2-6-12(7-3-10)22-13-8-4-11(5-9-13)14-19-15(17)21-16(18)20-14/h2-9H,1H3,(H4,17,18,19,20,21)
InChIKeyWCBCERPTWABDGS-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.80
Rot. Bonds3

About 6-[4-(4-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine

6-[4-(4-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 745572) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 6-[4-(4-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[4-(4-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID745572
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name6-[4-(4-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Oc2ccc(-c3nc(N)nc(N)n3)cc2)cc1
InChIInChI=1S/C16H15N5O/c1-10-2-6-12(7-3-10)22-13-8-4-11(5-9-13)14-19-15(17)21-16(18)20-14/h2-9H,1H3,(H4,17,18,19,20,21)
InChIKeyWCBCERPTWABDGS-UHFFFAOYSA-N
XLogP2.80
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-Triazine-2,4-diamine, 6-(4-methoxyphenyl)-
CID 34921
2-(4-Methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 19163
6-(2-Methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 667613
Phenol, 2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-
CID 135486181
6-(4-Propoxybenzyl)-1,3,5-triazine-2,4-diamine
CID 659117
6-(4-Ethoxybenzyl)-1,3,5-triazine-2,4-diamine
CID 660448
6-[4-(2-Methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 790865
Acetic acid [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] ester
CID 871154
CID 127036397
CID 127036397
2-{4-Amino-6-[2-(4-methoxyphenyl)vinyl]-1,3,5-triazin-2-yl}phenol
CID 135425072
6-(4-Methoxybenzyl)-1,3,5-triazine-2,4-diamine
CID 826378
6-(4-Phenoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 745052

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[4-(4-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine (CID 745572) is 6-[4-(4-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[4-(4-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[4-(4-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine is Cc1ccc(Oc2ccc(-c3nc(N)nc(N)n3)cc2)cc1.
What is the InChIKey of 6-[4-(4-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is WCBCERPTWABDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-10-2-6-12(7-3-10)22-13-8-4-11(5-9-13)14-19-15(17)21-16(18)20-14/h2-9H,1H3,(H4,17,18,19,20,21).
What are the key properties of 6-[4-(4-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
6-[4-(4-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 293.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 745572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).