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

C12H19N5O — CID 80861928

IUPAC4-but-3-enoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESC=CCCOc1nc(NC)nc(N2CCCC2)n1
InChIInChI=1S/C12H19N5O/c1-3-4-9-18-12-15-10(13-2)14-11(16-12)17-7-5-6-8-17/h3H,1,4-9H2,2H3,(H,13,14,15,16)
InChIKeyUEGSNXVXCTYSTM-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.47
Rot. Bonds6

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

4-but-3-enoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80861928) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-but-3-enoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-but-3-enoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80861928
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name4-but-3-enoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESC=CCCOc1nc(NC)nc(N2CCCC2)n1
InChIInChI=1S/C12H19N5O/c1-3-4-9-18-12-15-10(13-2)14-11(16-12)17-7-5-6-8-17/h3H,1,4-9H2,2H3,(H,13,14,15,16)
InChIKeyUEGSNXVXCTYSTM-UHFFFAOYSA-N
XLogP1.47
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-But-3-enoxy-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62869611
2-Chloro-4-pent-4-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine
CID 79113919
N-methyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80766751
N-ethyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80766993
4-ethoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80767074
4-ethoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80767149
4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80767228
4-propoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80767470
4-but-3-enoxy-6-piperidin-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 80844049
4-but-3-enoxy-6-chloro-N-propyl-1,3,5-triazin-2-amine
CID 80861070
4-But-3-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80861072
4-but-3-enoxy-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80861162

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-but-3-enoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80861928) is 4-but-3-enoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-but-3-enoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-but-3-enoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is C=CCCOc1nc(NC)nc(N2CCCC2)n1.
What is the InChIKey of 4-but-3-enoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is UEGSNXVXCTYSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-4-9-18-12-15-10(13-2)14-11(16-12)17-7-5-6-8-17/h3H,1,4-9H2,2H3,(H,13,14,15,16).
What are the key properties of 4-but-3-enoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-but-3-enoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 249.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80861928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).