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

C13H15ClN4O2 — CID 62858640

IUPAC4-chloro-6-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine
SMILESCOCc1cccc(CNc2nc(Cl)nc(OC)n2)c1
InChIInChI=1S/C13H15ClN4O2/c1-19-8-10-5-3-4-9(6-10)7-15-12-16-11(14)17-13(18-12)20-2/h3-6H,7-8H2,1-2H3,(H,15,16,17,18)
InChIKeyCFTKFMGWTNSAGR-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.29
Rot. Bonds6

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

4-chloro-6-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine (PubChem CID 62858640) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine
PubChem CID62858640
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name4-chloro-6-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine
SMILESCOCc1cccc(CNc2nc(Cl)nc(OC)n2)c1
InChIInChI=1S/C13H15ClN4O2/c1-19-8-10-5-3-4-9(6-10)7-15-12-16-11(14)17-13(18-12)20-2/h3-6H,7-8H2,1-2H3,(H,15,16,17,18)
InChIKeyCFTKFMGWTNSAGR-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(chloromethyl)phenyl]methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 65028280
4-chloro-6-methoxy-N-[2-(3-methylphenyl)ethyl]-1,3,5-triazin-2-amine
CID 62857336
4-chloro-6-[3-(methoxymethyl)phenoxy]-N-methyl-1,3,5-triazin-2-amine
CID 80876273
4-chloro-N-[(3-chlorophenyl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863657
6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80798291
N-[[3-(methoxymethyl)phenyl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169697
2-N-[(3-fluorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80772014
4-chloro-6-methoxy-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 62857968
4-chloro-6-methoxy-N-(quinolin-8-ylmethyl)-1,3,5-triazin-2-amine
CID 81427697
6-chloro-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193521
6-chloro-5-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193509
6-chloro-4-N-[[3-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 11540669

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine (CID 62858640) is 4-chloro-6-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine is COCc1cccc(CNc2nc(Cl)nc(OC)n2)c1.
What is the InChIKey of 4-chloro-6-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The InChIKey is CFTKFMGWTNSAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-19-8-10-5-3-4-9(6-10)7-15-12-16-11(14)17-13(18-12)20-2/h3-6H,7-8H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-chloro-6-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine has a molecular weight of 294.74 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 62858640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).