3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]propan-1-ol

C11H19N5O2 — CID 80865821

IUPAC3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]propan-1-ol
SMILESCNc1nc(OCCCO)nc(N2CCCC2)n1
InChIInChI=1S/C11H19N5O2/c1-12-9-13-10(16-5-2-3-6-16)15-11(14-9)18-8-4-7-17/h17H,2-8H2,1H3,(H,12,13,14,15)
InChIKeyCEZAZKRKPOWQJP-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.27
Rot. Bonds6

About 3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]propan-1-ol

3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]propan-1-ol (PubChem CID 80865821) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]propan-1-ol.

Molecular Properties

Compound Name3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]propan-1-ol
PubChem CID80865821
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]propan-1-ol
SMILESCNc1nc(OCCCO)nc(N2CCCC2)n1
InChIInChI=1S/C11H19N5O2/c1-12-9-13-10(16-5-2-3-6-16)15-11(14-9)18-8-4-7-17/h17H,2-8H2,1H3,(H,12,13,14,15)
InChIKeyCEZAZKRKPOWQJP-UHFFFAOYSA-N
XLogP0.27
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]propan-1-ol with MolForge

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Related Compounds

N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80865018
4-hexoxy-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80842498
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
4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 102741381
N-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80842497
4-(furan-2-ylmethoxy)-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80844803
N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106598566
3-[1-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 80801771
4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80750532
N-methyl-4-(4-methylpentan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80844224
4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80793428

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]propan-1-ol?
The IUPAC name of 3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]propan-1-ol (CID 80865821) is 3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]propan-1-ol.
What is the SMILES notation for 3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]propan-1-ol?
The canonical SMILES for 3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]propan-1-ol is CNc1nc(OCCCO)nc(N2CCCC2)n1.
What is the InChIKey of 3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]propan-1-ol?
The InChIKey is CEZAZKRKPOWQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-12-9-13-10(16-5-2-3-6-16)15-11(14-9)18-8-4-7-17/h17H,2-8H2,1H3,(H,12,13,14,15).
What are the key properties of 3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]propan-1-ol?
3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]propan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]oxy]propan-1-ol is sourced from PubChem (CID 80865821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).