2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine

C13H21N5O — CID 80834683

IUPAC2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCC2CC3CCC2C3)nc(OC)n1
InChIInChI=1S/C13H21N5O/c1-14-11-16-12(18-13(17-11)19-2)15-7-10-6-8-3-4-9(10)5-8/h8-10H,3-7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyNEDMWISQUAWHHS-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.77
Rot. Bonds5

About 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine

2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80834683) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80834683
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCC2CC3CCC2C3)nc(OC)n1
InChIInChI=1S/C13H21N5O/c1-14-11-16-12(18-13(17-11)19-2)15-7-10-6-8-3-4-9(10)5-8/h8-10H,3-7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyNEDMWISQUAWHHS-UHFFFAOYSA-N
XLogP1.77
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80834683) is 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(NCC2CC3CCC2C3)nc(OC)n1.
What is the InChIKey of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is NEDMWISQUAWHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-14-11-16-12(18-13(17-11)19-2)15-7-10-6-8-3-4-9(10)5-8/h8-10H,3-7H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 263.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80834683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).