6-[(3-phenoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine

C16H15N5O — CID 71468116

IUPAC6-[(3-phenoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(Cc2cccc(Oc3ccccc3)c2)n1
InChIInChI=1S/C16H15N5O/c17-15-19-14(20-16(18)21-15)10-11-5-4-8-13(9-11)22-12-6-2-1-3-7-12/h1-9H,10H2,(H4,17,18,19,20,21)
InChIKeyBTRLIVHZLFCGTN-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.42
Rot. Bonds4

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

6-[(3-phenoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 71468116) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 6-[(3-phenoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(3-phenoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID71468116
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name6-[(3-phenoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(Cc2cccc(Oc3ccccc3)c2)n1
InChIInChI=1S/C16H15N5O/c17-15-19-14(20-16(18)21-15)10-11-5-4-8-13(9-11)22-12-6-2-1-3-7-12/h1-9H,10H2,(H4,17,18,19,20,21)
InChIKeyBTRLIVHZLFCGTN-UHFFFAOYSA-N
XLogP2.42
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3-phenoxyphenyl)methylphosphane
CID 70930904
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
4,6-dichloro-2-[(3-methoxyphenyl)methyl]-5-phenoxypyrimidine
CID 18938913
CID 163958367
CID 163958367
6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681587
2-[[4,6-bis(3-phenoxyphenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(3-phenoxyphenyl)-1,3,5-triazine
CID 58299083
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 67332285
dideuterio-(3-phenoxyphenyl)methanol
CID 12604006
2-(3-phenoxyphenyl)ethanethioamide
CID 54208261
1-[(E)-but-2-enyl]-3-phenoxybenzene
CID 23463492
4-benzyl-6-tert-butyl-1,3,5-triazin-2-amine
CID 63868198

Frequently Asked Questions

What is the IUPAC name of 6-[(3-phenoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(3-phenoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine (CID 71468116) is 6-[(3-phenoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(3-phenoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(3-phenoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(Cc2cccc(Oc3ccccc3)c2)n1.
What is the InChIKey of 6-[(3-phenoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is BTRLIVHZLFCGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c17-15-19-14(20-16(18)21-15)10-11-5-4-8-13(9-11)22-12-6-2-1-3-7-12/h1-9H,10H2,(H4,17,18,19,20,21).
What are the key properties of 6-[(3-phenoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine?
6-[(3-phenoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 293.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-phenoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 71468116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).