2-N-(2-chloro-6-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine

C13H16ClN5O — CID 80850454

IUPAC2-N-(2-chloro-6-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(Nc2c(C)cccc2Cl)n1
InChIInChI=1S/C13H16ClN5O/c1-4-20-13-18-11(15-3)17-12(19-13)16-10-8(2)6-5-7-9(10)14/h5-7H,4H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyZFBDVCNRSAHUND-UHFFFAOYSA-N
MW293.76 g/mol
LogP3.02
Rot. Bonds5

About 2-N-(2-chloro-6-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine

2-N-(2-chloro-6-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80850454) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 2-N-(2-chloro-6-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-chloro-6-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80850454
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name2-N-(2-chloro-6-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(Nc2c(C)cccc2Cl)n1
InChIInChI=1S/C13H16ClN5O/c1-4-20-13-18-11(15-3)17-12(19-13)16-10-8(2)6-5-7-9(10)14/h5-7H,4H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyZFBDVCNRSAHUND-UHFFFAOYSA-N
XLogP3.02
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dichlorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80931014
6-ethoxy-4-N-methyl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80791524
2-N-[1-(2-chlorophenyl)ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80784410
2-N-(4-bromo-3-chlorophenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 107617887
6-ethoxy-4-N-methyl-2-N-(2,4,6-trifluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80831638
6-ethoxy-2-N-(4-fluoro-3-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80825210
2-N-[(3-chlorophenyl)methyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80832203
2-N-(4-bromo-2-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80759920
4-[(3-chlorophenyl)methoxy]-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 80876394
6-chloro-4-N-(2-chloro-6-methylphenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 66255962
2-N-(2,6-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80846906
4-ethoxy-N-(2-fluoro-3-methylphenyl)-6-hydrazinyl-1,3,5-triazin-2-amine
CID 114254280

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chloro-6-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-chloro-6-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80850454) is 2-N-(2-chloro-6-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-chloro-6-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-chloro-6-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is CCOc1nc(NC)nc(Nc2c(C)cccc2Cl)n1.
What is the InChIKey of 2-N-(2-chloro-6-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZFBDVCNRSAHUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-4-20-13-18-11(15-3)17-12(19-13)16-10-8(2)6-5-7-9(10)14/h5-7H,4H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-(2-chloro-6-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-(2-chloro-6-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 293.76 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chloro-6-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80850454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).