4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C10H15N5O — CID 80867785

IUPAC4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C10H15N5O/c1-2-7-16-10-13-8(11)12-9(14-10)15-5-3-4-6-15/h2H,1,3-7H2,(H2,11,12,13,14)
InChIKeyQAQQYVWCOVSSDG-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.62
Rot. Bonds4

About 4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80867785) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80867785
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C10H15N5O/c1-2-7-16-10-13-8(11)12-9(14-10)15-5-3-4-6-15/h2H,1,3-7H2,(H2,11,12,13,14)
InChIKeyQAQQYVWCOVSSDG-UHFFFAOYSA-N
XLogP0.62
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclohexylmethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80880804
4-(2-butoxyethoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80861399
4-(3-methoxy-3-methylbutoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106668991
4-(4,4-dimethylazepan-1-yl)-6-ethoxy-1,3,5-triazin-2-amine
CID 80842750
4-ethoxy-6-(4-propan-2-ylazepan-1-yl)-1,3,5-triazin-2-amine
CID 80837736
2-chloro-4-pent-4-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine
CID 79113919
[4-[(E)-but-2-enoxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80930831
2-N,2-N-dimethyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 27396198
4-(2,2-difluoroethoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 82008989
4-piperidin-1-yl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
CID 80877379
4-[4-piperidin-1-yl-6-(6-prop-2-enoxypyridazin-3-yl)oxy-1,3,5-triazin-2-yl]morpholine
CID 27396221
4-(2-bromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80859993

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80867785) is 4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is C=CCOc1nc(N)nc(N2CCCC2)n1.
What is the InChIKey of 4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is QAQQYVWCOVSSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-2-7-16-10-13-8(11)12-9(14-10)15-5-3-4-6-15/h2H,1,3-7H2,(H2,11,12,13,14).
What are the key properties of 4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 221.26 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80867785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).