4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine

C11H19N5O — CID 80791929

IUPAC4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(N2CCCC2C)n1
InChIInChI=1S/C11H19N5O/c1-3-7-17-11-14-9(12)13-10(15-11)16-6-4-5-8(16)2/h8H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyWKFOPMKHOHJPNI-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.23
Rot. Bonds4

About 4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine

4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80791929) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80791929
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(N2CCCC2C)n1
InChIInChI=1S/C11H19N5O/c1-3-7-17-11-14-9(12)13-10(15-11)16-6-4-5-8(16)2/h8H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyWKFOPMKHOHJPNI-UHFFFAOYSA-N
XLogP1.23
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine (CID 80791929) is 4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(N)nc(N2CCCC2C)n1.
What is the InChIKey of 4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is WKFOPMKHOHJPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-3-7-17-11-14-9(12)13-10(15-11)16-6-4-5-8(16)2/h8H,3-7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine?
4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 237.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80791929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).