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

C11H19N5O — CID 80766751

IUPACN-methyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(N2CCCC2)n1
InChIInChI=1S/C11H19N5O/c1-3-8-17-11-14-9(12-2)13-10(15-11)16-6-4-5-7-16/h3-8H2,1-2H3,(H,12,13,14,15)
InChIKeyISPKJNXZZHVYBD-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.30
Rot. Bonds5

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

N-methyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80766751) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N-methyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80766751
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN-methyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(N2CCCC2)n1
InChIInChI=1S/C11H19N5O/c1-3-8-17-11-14-9(12-2)13-10(15-11)16-6-4-5-7-16/h3-8H2,1-2H3,(H,12,13,14,15)
InChIKeyISPKJNXZZHVYBD-UHFFFAOYSA-N
XLogP1.30
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80766751) is N-methyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CCCOc1nc(NC)nc(N2CCCC2)n1.
What is the InChIKey of N-methyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is ISPKJNXZZHVYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-3-8-17-11-14-9(12-2)13-10(15-11)16-6-4-5-7-16/h3-8H2,1-2H3,(H,12,13,14,15).
What are the key properties of N-methyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-methyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 237.31 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80766751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).