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

C12H12Cl2N4O — CID 114156429

IUPAC4,6-dichloro-N-[[2-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine
SMILESCOCc1ccccc1CNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C12H12Cl2N4O/c1-19-7-9-5-3-2-4-8(9)6-15-12-17-10(13)16-11(14)18-12/h2-5H,6-7H2,1H3,(H,15,16,17,18)
InChIKeyNXHXWTCEJQTRFM-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.94
Rot. Bonds5

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

4,6-dichloro-N-[[2-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine (PubChem CID 114156429) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 4,6-dichloro-N-[[2-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-[[2-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine
PubChem CID114156429
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name4,6-dichloro-N-[[2-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine
SMILESCOCc1ccccc1CNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C12H12Cl2N4O/c1-19-7-9-5-3-2-4-8(9)6-15-12-17-10(13)16-11(14)18-12/h2-5H,6-7H2,1H3,(H,15,16,17,18)
InChIKeyNXHXWTCEJQTRFM-UHFFFAOYSA-N
XLogP2.94
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dichloro-N-[(2-ethylphenyl)methyl]-1,3,5-triazin-2-amine
CID 64695767
2-chloro-6-[[2-(methoxymethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 106192881
6-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-4,5-dimethylpyridazin-3-amine
CID 106192887
6-chloro-2-N-[(2-chlorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80786435
2-chloro-4-[[2-(methoxymethyl)phenyl]methylamino]pyrimidine-5-carboxamide
CID 154628278
6-chloro-4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62869536
N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 60923540
6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80776835
N-[[2-(methoxymethyl)phenyl]methyl]pyridazin-3-amine
CID 62482630
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpyridin-3-amine
CID 79041996
1-(4-chloro-2-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 104853900
1-(3,4-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60744348

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[[2-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-[[2-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine (CID 114156429) is 4,6-dichloro-N-[[2-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-[[2-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-[[2-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine is COCc1ccccc1CNc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-[[2-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The InChIKey is NXHXWTCEJQTRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-19-7-9-5-3-2-4-8(9)6-15-12-17-10(13)16-11(14)18-12/h2-5H,6-7H2,1H3,(H,15,16,17,18).
What are the key properties of 4,6-dichloro-N-[[2-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
4,6-dichloro-N-[[2-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine has a molecular weight of 299.16 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[[2-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 114156429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).