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

C16H15N5O — CID 127036782

IUPAC6-[4-(3-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(Oc2ccc(-c3nc(N)nc(N)n3)cc2)c1
InChIInChI=1S/C16H15N5O/c1-10-3-2-4-13(9-10)22-12-7-5-11(6-8-12)14-19-15(17)21-16(18)20-14/h2-9H,1H3,(H4,17,18,19,20,21)
InChIKeySHBSNOJFANQFGD-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.80
Rot. Bonds3

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

6-[4-(3-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 127036782) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 6-[4-(3-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[4-(3-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID127036782
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name6-[4-(3-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(Oc2ccc(-c3nc(N)nc(N)n3)cc2)c1
InChIInChI=1S/C16H15N5O/c1-10-3-2-4-13(9-10)22-12-7-5-11(6-8-12)14-19-15(17)21-16(18)20-14/h2-9H,1H3,(H4,17,18,19,20,21)
InChIKeySHBSNOJFANQFGD-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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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[4-(3-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine (CID 127036782) is 6-[4-(3-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[4-(3-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[4-(3-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine is Cc1cccc(Oc2ccc(-c3nc(N)nc(N)n3)cc2)c1.
What is the InChIKey of 6-[4-(3-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is SHBSNOJFANQFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-10-3-2-4-13(9-10)22-12-7-5-11(6-8-12)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-(3-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
6-[4-(3-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-(3-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 127036782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).