4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine

C11H19N5O — CID 80854586

IUPAC4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(N2CCC(C)(C)C2)n1
InChIInChI=1S/C11H19N5O/c1-11(2)5-6-16(7-11)9-13-8(12-3)14-10(15-9)17-4/h5-7H2,1-4H3,(H,12,13,14,15)
InChIKeyUDSXAQUGSSPQAS-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.16
Rot. Bonds3

About 4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine

4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80854586) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID80854586
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(N2CCC(C)(C)C2)n1
InChIInChI=1S/C11H19N5O/c1-11(2)5-6-16(7-11)9-13-8(12-3)14-10(15-9)17-4/h5-7H2,1-4H3,(H,12,13,14,15)
InChIKeyUDSXAQUGSSPQAS-UHFFFAOYSA-N
XLogP1.16
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine (CID 80854586) is 4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine is CNc1nc(OC)nc(N2CCC(C)(C)C2)n1.
What is the InChIKey of 4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is UDSXAQUGSSPQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-11(2)5-6-16(7-11)9-13-8(12-3)14-10(15-9)17-4/h5-7H2,1-4H3,(H,12,13,14,15).
What are the key properties of 4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 237.31 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80854586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).