2-N-(3,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine

C11H13N5O2 — CID 2730289

IUPAC2-N-(3,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(Nc2ncnc(N)n2)cc(OC)c1
InChIInChI=1S/C11H13N5O2/c1-17-8-3-7(4-9(5-8)18-2)15-11-14-6-13-10(12)16-11/h3-6H,1-2H3,(H3,12,13,14,15,16)
InChIKeyRNNWPZQYCVISAL-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.21
Rot. Bonds4

About 2-N-(3,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine

2-N-(3,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 2730289) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-N-(3,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID2730289
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name2-N-(3,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(Nc2ncnc(N)n2)cc(OC)c1
InChIInChI=1S/C11H13N5O2/c1-17-8-3-7(4-9(5-8)18-2)15-11-14-6-13-10(12)16-11/h3-6H,1-2H3,(H3,12,13,14,15,16)
InChIKeyRNNWPZQYCVISAL-UHFFFAOYSA-N
XLogP1.21
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 2730289) is 2-N-(3,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1cc(Nc2ncnc(N)n2)cc(OC)c1.
What is the InChIKey of 2-N-(3,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is RNNWPZQYCVISAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-17-8-3-7(4-9(5-8)18-2)15-11-14-6-13-10(12)16-11/h3-6H,1-2H3,(H3,12,13,14,15,16).
What are the key properties of 2-N-(3,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine?
2-N-(3,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 247.26 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2730289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).