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

C12H14ClN5 — CID 80849210

IUPAC6-chloro-2-N-[2-(2-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1CCNc1nc(N)nc(Cl)n1
InChIInChI=1S/C12H14ClN5/c1-8-4-2-3-5-9(8)6-7-15-12-17-10(13)16-11(14)18-12/h2-5H,6-7H2,1H3,(H3,14,15,16,17,18)
InChIKeyOEERWARKRMIOBA-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.07
Rot. Bonds4

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

6-chloro-2-N-[2-(2-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80849210) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 6-chloro-2-N-[2-(2-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[2-(2-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID80849210
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name6-chloro-2-N-[2-(2-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1CCNc1nc(N)nc(Cl)n1
InChIInChI=1S/C12H14ClN5/c1-8-4-2-3-5-9(8)6-7-15-12-17-10(13)16-11(14)18-12/h2-5H,6-7H2,1H3,(H3,14,15,16,17,18)
InChIKeyOEERWARKRMIOBA-UHFFFAOYSA-N
XLogP2.07
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazin-2-amine
CID 79755619
4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80849672
6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 616630
6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine
CID 80770653
4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80850064
6-chloro-2-N-[(2,3-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 166163825
6-chloro-2-N-(2-propylphenyl)-1,3,5-triazine-2,4-diamine
CID 80807407
6-chloro-4-N-ethyl-2-N-[2-(2-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106262673
4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 79763749
2-chloro-N-[2-(2-methylphenyl)ethyl]aniline
CID 54796032
6-chloro-N-[2-(2-methylphenyl)ethyl]pyrazin-2-amine
CID 47151369
5-chloro-2-N-methyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80849598

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[2-(2-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[2-(2-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine (CID 80849210) is 6-chloro-2-N-[2-(2-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[2-(2-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[2-(2-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine is Cc1ccccc1CCNc1nc(N)nc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-[2-(2-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is OEERWARKRMIOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c1-8-4-2-3-5-9(8)6-7-15-12-17-10(13)16-11(14)18-12/h2-5H,6-7H2,1H3,(H3,14,15,16,17,18).
What are the key properties of 6-chloro-2-N-[2-(2-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[2-(2-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 263.73 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[2-(2-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80849210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).