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

C12H15N5O — CID 166178490

IUPAC2-N-[(3-methoxyphenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(CNc2nc(C)nc(N)n2)c1
InChIInChI=1S/C12H15N5O/c1-8-15-11(13)17-12(16-8)14-7-9-4-3-5-10(6-9)18-2/h3-6H,7H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyYEUYMEBSTOOQBZ-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.38
Rot. Bonds4

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

2-N-[(3-methoxyphenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 166178490) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-N-[(3-methoxyphenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(3-methoxyphenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID166178490
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-N-[(3-methoxyphenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCOc1cccc(CNc2nc(C)nc(N)n2)c1
InChIInChI=1S/C12H15N5O/c1-8-15-11(13)17-12(16-8)14-7-9-4-3-5-10(6-9)18-2/h3-6H,7H2,1-2H3,(H3,13,14,15,16,17)
InChIKeyYEUYMEBSTOOQBZ-UHFFFAOYSA-N
XLogP1.38
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 112690994
6-N-ethyl-4-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80776127
2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine
CID 81131728
N-[4-[[4-(aminomethyl)phenyl]methylamino]-6-[(3-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]hydroxylamine
CID 134108535
6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine
CID 79826816
6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80798291
4-ethoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 115974506
[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]cyanamide
CID 115266696
3-N-[(3-methoxyphenyl)methyl]-4-methylbenzene-1,3-diamine
CID 62589428
2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-2,3-diamine
CID 66279303
N-[(3-methoxyphenyl)methyl]-4-methylaniline
CID 23255337
6-chloro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 63587268

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-methoxyphenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(3-methoxyphenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine (CID 166178490) is 2-N-[(3-methoxyphenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(3-methoxyphenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(3-methoxyphenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine is COc1cccc(CNc2nc(C)nc(N)n2)c1.
What is the InChIKey of 2-N-[(3-methoxyphenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YEUYMEBSTOOQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-15-11(13)17-12(16-8)14-7-9-4-3-5-10(6-9)18-2/h3-6H,7H2,1-2H3,(H3,13,14,15,16,17).
What are the key properties of 2-N-[(3-methoxyphenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine?
2-N-[(3-methoxyphenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 245.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-methoxyphenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 166178490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).