4-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine

C11H12N4O2 — CID 63867126

IUPAC4-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2ncnc(N)n2)cc1OC
InChIInChI=1S/C11H12N4O2/c1-16-8-4-3-7(5-9(8)17-2)10-13-6-14-11(12)15-10/h3-6H,1-2H3,(H2,12,13,14,15)
InChIKeyJWZDYNIKHDPVEC-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.14
Rot. Bonds3

About 4-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine

4-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 63867126) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID63867126
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name4-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2ncnc(N)n2)cc1OC
InChIInChI=1S/C11H12N4O2/c1-16-8-4-3-7(5-9(8)17-2)10-13-6-14-11(12)15-10/h3-6H,1-2H3,(H2,12,13,14,15)
InChIKeyJWZDYNIKHDPVEC-UHFFFAOYSA-N
XLogP1.14
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2-methoxyphenyl)phenyl]-1,3,5-triazin-2-amine
CID 142791138
4-(4-methylphenyl)-1,3,5-triazin-2-amine
CID 63867122
2-(3,4-dimethoxyphenyl)pyrimidin-5-amine
CID 43142283
1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine
CID 62745743
4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine
CID 24743459
8,9-bis(3,4-dimethoxyphenyl)purin-6-amine
CID 25140418
4,5,10,11,16,17-hexakis(3,4-dimethoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 101071642
6-amino-2-(3,4-dimethoxyphenyl)pyrimidine-4-carbonitrile
CID 116862627
5-bromo-3-(3,4-dimethoxyphenyl)pyrazin-2-amine
CID 86000885
5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 40773451
1-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 62951873
2-(3,4-dimethoxyphenyl)pyridin-3-amine
CID 23075532

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine (CID 63867126) is 4-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine is COc1ccc(-c2ncnc(N)n2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is JWZDYNIKHDPVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-16-8-4-3-7(5-9(8)17-2)10-13-6-14-11(12)15-10/h3-6H,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine?
4-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 232.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63867126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).