6-(2,5-dimethylphenoxy)-2-N-phenyl-1,3,5-triazine-2,4-diamine

C17H17N5O — CID 141033854

IUPAC6-(2,5-dimethylphenoxy)-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(C)c(Oc2nc(N)nc(Nc3ccccc3)n2)c1
InChIInChI=1S/C17H17N5O/c1-11-8-9-12(2)14(10-11)23-17-21-15(18)20-16(22-17)19-13-6-4-3-5-7-13/h3-10H,1-2H3,(H3,18,19,20,21,22)
InChIKeyMJWKDNYFBDCYGQ-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.61
Rot. Bonds4

About 6-(2,5-dimethylphenoxy)-2-N-phenyl-1,3,5-triazine-2,4-diamine

6-(2,5-dimethylphenoxy)-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 141033854) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 6-(2,5-dimethylphenoxy)-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2,5-dimethylphenoxy)-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID141033854
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name6-(2,5-dimethylphenoxy)-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(C)c(Oc2nc(N)nc(Nc3ccccc3)n2)c1
InChIInChI=1S/C17H17N5O/c1-11-8-9-12(2)14(10-11)23-17-21-15(18)20-16(22-17)19-13-6-4-3-5-7-13/h3-10H,1-2H3,(H3,18,19,20,21,22)
InChIKeyMJWKDNYFBDCYGQ-UHFFFAOYSA-N
XLogP3.61
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[1-[2-(2,5-dimethylphenoxy)ethylsulfanyl]ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 18229181
6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80754961
2-N,4-N-bis(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 12655286
2-N-(2,4-dimethylphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80763510
4-(2,5-dimethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80866768
2-N-(2,5-dimethylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80763432
6-(2,5-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80864385
4-[[4-amino-6-(4-cyanoanilino)-1,3,5-triazin-2-yl]oxy]-3-methoxybenzonitrile
CID 505506
2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80760934
4-(2,5-dimethylphenoxy)-6-fluoropyrimidin-2-amine
CID 695400
2-N-phenyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid
CID 162156897
4-(2,4-dimethylphenoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80862836

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenoxy)-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2,5-dimethylphenoxy)-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 141033854) is 6-(2,5-dimethylphenoxy)-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2,5-dimethylphenoxy)-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2,5-dimethylphenoxy)-2-N-phenyl-1,3,5-triazine-2,4-diamine is Cc1ccc(C)c(Oc2nc(N)nc(Nc3ccccc3)n2)c1.
What is the InChIKey of 6-(2,5-dimethylphenoxy)-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MJWKDNYFBDCYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11-8-9-12(2)14(10-11)23-17-21-15(18)20-16(22-17)19-13-6-4-3-5-7-13/h3-10H,1-2H3,(H3,18,19,20,21,22).
What are the key properties of 6-(2,5-dimethylphenoxy)-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-(2,5-dimethylphenoxy)-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 307.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenoxy)-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 141033854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).