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

C13H23N5O — CID 107421220

IUPAC6-ethoxy-4-N-methyl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(NCC2CCCC2C)n1
InChIInChI=1S/C13H23N5O/c1-4-19-13-17-11(14-3)16-12(18-13)15-8-10-7-5-6-9(10)2/h9-10H,4-8H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyWCYCALGUXPCLMH-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.16
Rot. Bonds6

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

6-ethoxy-4-N-methyl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 107421220) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-ethoxy-4-N-methyl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-methyl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID107421220
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name6-ethoxy-4-N-methyl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(NCC2CCCC2C)n1
InChIInChI=1S/C13H23N5O/c1-4-19-13-17-11(14-3)16-12(18-13)15-8-10-7-5-6-9(10)2/h9-10H,4-8H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyWCYCALGUXPCLMH-UHFFFAOYSA-N
XLogP2.16
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-methyl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-methyl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine (CID 107421220) is 6-ethoxy-4-N-methyl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-methyl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-methyl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine is CCOc1nc(NC)nc(NCC2CCCC2C)n1.
What is the InChIKey of 6-ethoxy-4-N-methyl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is WCYCALGUXPCLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-19-13-17-11(14-3)16-12(18-13)15-8-10-7-5-6-9(10)2/h9-10H,4-8H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 6-ethoxy-4-N-methyl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-methyl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 265.36 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-methyl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107421220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).