2-N-(3-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

C14H19N5O2 — CID 80785420

IUPAC2-N-(3-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1cccc(Nc2nc(N)nc(OC(C)C)n2)c1
InChIInChI=1S/C14H19N5O2/c1-4-20-11-7-5-6-10(8-11)16-13-17-12(15)18-14(19-13)21-9(2)3/h5-9H,4H2,1-3H3,(H3,15,16,17,18,19)
InChIKeyZEKPONBSVMYFPE-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.38
Rot. Bonds6

About 2-N-(3-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

2-N-(3-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80785420) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-N-(3-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80785420
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-N-(3-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1cccc(Nc2nc(N)nc(OC(C)C)n2)c1
InChIInChI=1S/C14H19N5O2/c1-4-20-11-7-5-6-10(8-11)16-13-17-12(15)18-14(19-13)21-9(2)3/h5-9H,4H2,1-3H3,(H3,15,16,17,18,19)
InChIKeyZEKPONBSVMYFPE-UHFFFAOYSA-N
XLogP2.38
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80761343
N-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80905492
6-ethoxy-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80737984
2-N-(3,5-difluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762087
2-N-(2,3-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762248
2-N-(3-ethoxyphenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80785951
4-chloro-N-(4-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62868653
2-N-(3,4-difluorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80762744
6-propan-2-yloxy-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine
CID 80784471
4-N-ethyl-2-N-(3-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80737117
6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80763478
N-(3-ethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80905017

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80785420) is 2-N-(3-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is CCOc1cccc(Nc2nc(N)nc(OC(C)C)n2)c1.
What is the InChIKey of 2-N-(3-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is ZEKPONBSVMYFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-20-11-7-5-6-10(8-11)16-13-17-12(15)18-14(19-13)21-9(2)3/h5-9H,4H2,1-3H3,(H3,15,16,17,18,19).
What are the key properties of 2-N-(3-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
2-N-(3-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 289.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80785420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).