4,6-dichloro-N-[(2-ethylphenyl)methyl]-1,3,5-triazin-2-amine

C12H12Cl2N4 — CID 64695767

IUPAC4,6-dichloro-N-[(2-ethylphenyl)methyl]-1,3,5-triazin-2-amine
SMILESCCc1ccccc1CNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C12H12Cl2N4/c1-2-8-5-3-4-6-9(8)7-15-12-17-10(13)16-11(14)18-12/h3-6H,2,7H2,1H3,(H,15,16,17,18)
InChIKeyPGNYSXSPOICFRF-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.35
Rot. Bonds4

About 4,6-dichloro-N-[(2-ethylphenyl)methyl]-1,3,5-triazin-2-amine

4,6-dichloro-N-[(2-ethylphenyl)methyl]-1,3,5-triazin-2-amine (PubChem CID 64695767) has the molecular formula C12H12Cl2N4 and a molecular weight of 283.16 g/mol. Its IUPAC name is 4,6-dichloro-N-[(2-ethylphenyl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-[(2-ethylphenyl)methyl]-1,3,5-triazin-2-amine
PubChem CID64695767
Molecular FormulaC12H12Cl2N4
Molecular Weight283.16 g/mol
Exact Mass282.04
IUPAC Name4,6-dichloro-N-[(2-ethylphenyl)methyl]-1,3,5-triazin-2-amine
SMILESCCc1ccccc1CNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C12H12Cl2N4/c1-2-8-5-3-4-6-9(8)7-15-12-17-10(13)16-11(14)18-12/h3-6H,2,7H2,1H3,(H,15,16,17,18)
InChIKeyPGNYSXSPOICFRF-UHFFFAOYSA-N
XLogP3.35
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dichloro-N-[[2-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 114156429
6-chloro-2-N-[(2-chlorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80786435
6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80776835
N-[(2-ethylphenyl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204340
2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenol
CID 106196572
N-[(2-ethylphenyl)methyl]-5-methylpyrimidin-2-amine
CID 64693238
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine
CID 64695768
N-[(2-ethylphenyl)methyl]pyridin-2-amine
CID 64695521
4,6-dichloro-N-[(4-phenylphenyl)methyl]-1,3,5-triazin-2-amine
CID 135338526
6-chloro-4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62869536
2-[(2-ethylphenyl)methylamino]-6-methylpyrimidine-4-carbothioamide
CID 107547600

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[(2-ethylphenyl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-[(2-ethylphenyl)methyl]-1,3,5-triazin-2-amine (CID 64695767) is 4,6-dichloro-N-[(2-ethylphenyl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-[(2-ethylphenyl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-[(2-ethylphenyl)methyl]-1,3,5-triazin-2-amine is CCc1ccccc1CNc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-[(2-ethylphenyl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is PGNYSXSPOICFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4/c1-2-8-5-3-4-6-9(8)7-15-12-17-10(13)16-11(14)18-12/h3-6H,2,7H2,1H3,(H,15,16,17,18).
What are the key properties of 4,6-dichloro-N-[(2-ethylphenyl)methyl]-1,3,5-triazin-2-amine?
4,6-dichloro-N-[(2-ethylphenyl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 283.16 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[(2-ethylphenyl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 64695767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).