6-methyl-2-N-[1-(3-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine

C13H17N5 — CID 22965390

IUPAC6-methyl-2-N-[1-(3-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(C(C)Nc2nc(C)nc(N)n2)c1
InChIInChI=1S/C13H17N5/c1-8-5-4-6-11(7-8)9(2)15-13-17-10(3)16-12(14)18-13/h4-7,9H,1-3H3,(H3,14,15,16,17,18)
InChIKeyXMARZSIZIXDYDE-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.24
Rot. Bonds3

About 6-methyl-2-N-[1-(3-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine

6-methyl-2-N-[1-(3-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 22965390) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-methyl-2-N-[1-(3-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[1-(3-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID22965390
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name6-methyl-2-N-[1-(3-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(C(C)Nc2nc(C)nc(N)n2)c1
InChIInChI=1S/C13H17N5/c1-8-5-4-6-11(7-8)9(2)15-13-17-10(3)16-12(14)18-13/h4-7,9H,1-3H3,(H3,14,15,16,17,18)
InChIKeyXMARZSIZIXDYDE-UHFFFAOYSA-N
XLogP2.24
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[1-(4-ethylsulfanylphenyl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 22965426
2-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 22965421
2-N-[1-(4-ethylsulfonylphenyl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 22965428
6-[(1S)-1-chloroethyl]-2-N-[(1S)-1-phenylethyl]-1,3,5-triazine-2,4-diamine
CID 59879811
N-[1-(3-methylphenyl)ethyl]pyridin-2-amine
CID 115916909
4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 113221029
4-[1-(3-methylphenyl)ethylamino]benzonitrile
CID 43763775
2,4-dichloro-N-[1-(3-methylphenyl)ethyl]aniline
CID 43758710
(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 79040987
N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80896965
ethane;6-methyl-2-N-[(2R)-4-phenylbutan-2-yl]-1,3,5-triazine-2,4-diamine
CID 91072276
6-chloro-2-N-(1-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80781008

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[1-(3-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-[1-(3-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine (CID 22965390) is 6-methyl-2-N-[1-(3-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-[1-(3-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-[1-(3-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine is Cc1cccc(C(C)Nc2nc(C)nc(N)n2)c1.
What is the InChIKey of 6-methyl-2-N-[1-(3-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is XMARZSIZIXDYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-8-5-4-6-11(7-8)9(2)15-13-17-10(3)16-12(14)18-13/h4-7,9H,1-3H3,(H3,14,15,16,17,18).
What are the key properties of 6-methyl-2-N-[1-(3-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine?
6-methyl-2-N-[1-(3-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[1-(3-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22965390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).