6-(2-methoxyethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine

C7H13N5O — CID 67336723

IUPAC6-(2-methoxyethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N)nc(CCOC)n1
InChIInChI=1S/C7H13N5O/c1-9-7-11-5(3-4-13-2)10-6(8)12-7/h3-4H2,1-2H3,(H3,8,9,10,11,12)
InChIKeyVKCIOTSRKXZDRD-UHFFFAOYSA-N
MW183.22 g/mol
LogP-0.32
Rot. Bonds4

About 6-(2-methoxyethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine

6-(2-methoxyethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 67336723) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is 6-(2-methoxyethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-methoxyethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID67336723
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC Name6-(2-methoxyethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N)nc(CCOC)n1
InChIInChI=1S/C7H13N5O/c1-9-7-11-5(3-4-13-2)10-6(8)12-7/h3-4H2,1-2H3,(H3,8,9,10,11,12)
InChIKeyVKCIOTSRKXZDRD-UHFFFAOYSA-N
XLogP-0.32
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-methoxyethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine (CID 67336723) is 6-(2-methoxyethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-methoxyethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-methoxyethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(N)nc(CCOC)n1.
What is the InChIKey of 6-(2-methoxyethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is VKCIOTSRKXZDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-9-7-11-5(3-4-13-2)10-6(8)12-7/h3-4H2,1-2H3,(H3,8,9,10,11,12).
What are the key properties of 6-(2-methoxyethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
6-(2-methoxyethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 183.22 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 67336723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).