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

C12H14ClN5O — CID 80798291

IUPAC6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NCc2cccc(OC)c2)n1
InChIInChI=1S/C12H14ClN5O/c1-14-11-16-10(13)17-12(18-11)15-7-8-4-3-5-9(6-8)19-2/h3-6H,7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyGFDYIMNOTAHPJC-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.19
Rot. Bonds5

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

6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80798291) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80798291
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NCc2cccc(OC)c2)n1
InChIInChI=1S/C12H14ClN5O/c1-14-11-16-10(13)17-12(18-11)15-7-8-4-3-5-9(6-8)19-2/h3-6H,7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyGFDYIMNOTAHPJC-UHFFFAOYSA-N
XLogP2.19
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80794627
6-chloro-4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 107855546
6-chloro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 63587268
4-methoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 112690994
N-[4-[[4-(aminomethyl)phenyl]methylamino]-6-[(3-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]hydroxylamine
CID 134108535
6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804623
2-N-[(3-fluorophenyl)methyl]-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80772014
2-N-[(3-methoxyphenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 166178490
4-chloro-6-[3-(methoxymethyl)phenoxy]-N-methyl-1,3,5-triazin-2-amine
CID 80876273
4-chloro-N-[(3-methoxyphenyl)methyl]aniline
CID 4681221
4-chloro-6-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 62858640
6-chloro-2-N-(3-methoxyphenyl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80817157

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80798291) is 6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(NCc2cccc(OC)c2)n1.
What is the InChIKey of 6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GFDYIMNOTAHPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-14-11-16-10(13)17-12(18-11)15-7-8-4-3-5-9(6-8)19-2/h3-6H,7H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 279.73 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80798291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).