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

C14H19N5O — CID 80762248

IUPAC2-N-(2,3-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(Nc2nc(N)nc(OC(C)C)n2)c1C
InChIInChI=1S/C14H19N5O/c1-8(2)20-14-18-12(15)17-13(19-14)16-11-7-5-6-9(3)10(11)4/h5-8H,1-4H3,(H3,15,16,17,18,19)
InChIKeySKSWDFGUHMUMJV-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.60
Rot. Bonds4

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

2-N-(2,3-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (PubChem CID 80762248) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-N-(2,3-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,3-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
PubChem CID80762248
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-N-(2,3-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(Nc2nc(N)nc(OC(C)C)n2)c1C
InChIInChI=1S/C14H19N5O/c1-8(2)20-14-18-12(15)17-13(19-14)16-11-7-5-6-9(3)10(11)4/h5-8H,1-4H3,(H3,15,16,17,18,19)
InChIKeySKSWDFGUHMUMJV-UHFFFAOYSA-N
XLogP2.60
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2-ethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762007
6-propan-2-yloxy-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine
CID 80784471
4-(2,3-dimethylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80863931
N-(3-fluoro-2-methylphenyl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80900644
2-N-(2,4-dibromophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80800480
2-N-(3-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80785420
2-N-(3,5-difluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762087
2-N-(2-bromo-5-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80830555
2-N-(2,3-dimethylphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907159
4-N-(2,3-dimethylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002233
2-N-(2,3-dimethylphenyl)-6-[(4-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 893547
2-N-[(2-bromophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80794796

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,3-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine (CID 80762248) is 2-N-(2,3-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,3-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,3-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is Cc1cccc(Nc2nc(N)nc(OC(C)C)n2)c1C.
What is the InChIKey of 2-N-(2,3-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
The InChIKey is SKSWDFGUHMUMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-8(2)20-14-18-12(15)17-13(19-14)16-11-7-5-6-9(3)10(11)4/h5-8H,1-4H3,(H3,15,16,17,18,19).
What are the key properties of 2-N-(2,3-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine?
2-N-(2,3-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine has a molecular weight of 273.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80762248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).