4-(2,3-dimethylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine

C14H18N4O2 — CID 80863931

IUPAC4-(2,3-dimethylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCc1cccc(Oc2nc(N)nc(OC(C)C)n2)c1C
InChIInChI=1S/C14H18N4O2/c1-8(2)19-13-16-12(15)17-14(18-13)20-11-7-5-6-9(3)10(11)4/h5-8H,1-4H3,(H2,15,16,17,18)
InChIKeyXVUKXZQBTVGUIU-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.65
Rot. Bonds4

About 4-(2,3-dimethylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-(2,3-dimethylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80863931) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(2,3-dimethylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,3-dimethylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80863931
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-(2,3-dimethylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCc1cccc(Oc2nc(N)nc(OC(C)C)n2)c1C
InChIInChI=1S/C14H18N4O2/c1-8(2)19-13-16-12(15)17-14(18-13)20-11-7-5-6-9(3)10(11)4/h5-8H,1-4H3,(H2,15,16,17,18)
InChIKeyXVUKXZQBTVGUIU-UHFFFAOYSA-N
XLogP2.65
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2,3-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762248
4-(5-bromo-2-methylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 107287473
4-(2,4-difluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80862644
4-(2,3-dimethylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80864002
4-methoxy-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80869201
2-(2-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 55124799
4-(2,3-dimethylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331767
6-(2,3-dimethylphenoxy)-7H-purin-2-amine
CID 114787154
2-bromo-6-(2,3-dimethylphenoxy)pyridine
CID 63961920
2-N-(3-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80785420
[6-(2,3-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80968329
6-(2,3-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80863930

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,3-dimethylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 80863931) is 4-(2,3-dimethylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,3-dimethylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,3-dimethylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine is Cc1cccc(Oc2nc(N)nc(OC(C)C)n2)c1C.
What is the InChIKey of 4-(2,3-dimethylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is XVUKXZQBTVGUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8(2)19-13-16-12(15)17-14(18-13)20-11-7-5-6-9(3)10(11)4/h5-8H,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-(2,3-dimethylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-(2,3-dimethylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 274.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80863931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).