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

C13H15ClN4O2 — CID 65028280

IUPACN-[[3-(chloromethyl)phenyl]methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCc2cccc(CCl)c2)nc(OC)n1
InChIInChI=1S/C13H15ClN4O2/c1-19-12-16-11(17-13(18-12)20-2)15-8-10-5-3-4-9(6-10)7-14/h3-6H,7-8H2,1-2H3,(H,15,16,17,18)
InChIKeyFYZZRMBHNMSOTO-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.24
Rot. Bonds6

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

N-[[3-(chloromethyl)phenyl]methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine (PubChem CID 65028280) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is N-[[3-(chloromethyl)phenyl]methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[[3-(chloromethyl)phenyl]methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
PubChem CID65028280
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC NameN-[[3-(chloromethyl)phenyl]methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCc2cccc(CCl)c2)nc(OC)n1
InChIInChI=1S/C13H15ClN4O2/c1-19-12-16-11(17-13(18-12)20-2)15-8-10-5-3-4-9(6-10)7-14/h3-6H,7-8H2,1-2H3,(H,15,16,17,18)
InChIKeyFYZZRMBHNMSOTO-UHFFFAOYSA-N
XLogP2.24
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 62858640
2-N-[(3-fluorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80772014
3-[[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]benzonitrile
CID 80797396
N-[[3-(chloromethyl)phenyl]methyl]-3-methoxypyridin-2-amine
CID 113371329
N-[(4-aminophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62860362
[3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]phenyl]methanol
CID 115355459
4-N-benzyl-2-N-(furan-2-ylmethyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 768148
4-[(3-chlorophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80871605
N-[[3-(chloromethyl)phenyl]methyl]-3,6-dimethylpyrazin-2-amine
CID 65028743
6-methoxy-4-N-methyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771837
4-chloro-6-methoxy-N-[2-(3-methylphenyl)ethyl]-1,3,5-triazin-2-amine
CID 62857336
6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80798291

Frequently Asked Questions

What is the IUPAC name of N-[[3-(chloromethyl)phenyl]methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-[[3-(chloromethyl)phenyl]methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine (CID 65028280) is N-[[3-(chloromethyl)phenyl]methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[[3-(chloromethyl)phenyl]methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-[[3-(chloromethyl)phenyl]methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine is COc1nc(NCc2cccc(CCl)c2)nc(OC)n1.
What is the InChIKey of N-[[3-(chloromethyl)phenyl]methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The InChIKey is FYZZRMBHNMSOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-19-12-16-11(17-13(18-12)20-2)15-8-10-5-3-4-9(6-10)7-14/h3-6H,7-8H2,1-2H3,(H,15,16,17,18).
What are the key properties of N-[[3-(chloromethyl)phenyl]methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
N-[[3-(chloromethyl)phenyl]methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine has a molecular weight of 294.74 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(chloromethyl)phenyl]methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 65028280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).