N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C13H23N5O — CID 80865018

IUPACN-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCCCCOc1nc(NC)nc(N2CCCC2)n1
InChIInChI=1S/C13H23N5O/c1-3-4-7-10-19-13-16-11(14-2)15-12(17-13)18-8-5-6-9-18/h3-10H2,1-2H3,(H,14,15,16,17)
InChIKeyQMADWERKAADPBW-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.08
Rot. Bonds7

About N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80865018) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80865018
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCCCCOc1nc(NC)nc(N2CCCC2)n1
InChIInChI=1S/C13H23N5O/c1-3-4-7-10-19-13-16-11(14-2)15-12(17-13)18-8-5-6-9-18/h3-10H2,1-2H3,(H,14,15,16,17)
InChIKeyQMADWERKAADPBW-UHFFFAOYSA-N
XLogP2.08
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hexoxy-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80842498
N-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80842497
3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80865821
4-but-3-ynoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106795532
N-methyl-4-(3-methylbutoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80858158
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 102741381
4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80750532
4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80793428
4-hexoxy-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80861914
4-chloro-N-methyl-6-pentoxy-1,3,5-triazin-2-amine
CID 80866765
4-ethoxy-N-methyl-6-(4-methylazepan-1-yl)-1,3,5-triazin-2-amine
CID 80834392

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80865018) is N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CCCCCOc1nc(NC)nc(N2CCCC2)n1.
What is the InChIKey of N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is QMADWERKAADPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-4-7-10-19-13-16-11(14-2)15-12(17-13)18-8-5-6-9-18/h3-10H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 265.36 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80865018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).