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

C10H17N5O — CID 23009039

IUPAC4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C10H17N5O/c1-2-7-16-10-13-8(11)12-9(14-10)15-5-3-4-6-15/h2-7H2,1H3,(H2,11,12,13,14)
InChIKeyPWXCJBBTCNYDKB-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.84
Rot. Bonds4

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

4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 23009039) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID23009039
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C10H17N5O/c1-2-7-16-10-13-8(11)12-9(14-10)15-5-3-4-6-15/h2-7H2,1H3,(H2,11,12,13,14)
InChIKeyPWXCJBBTCNYDKB-UHFFFAOYSA-N
XLogP0.84
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 23009039) is 4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CCCOc1nc(N)nc(N2CCCC2)n1.
What is the InChIKey of 4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is PWXCJBBTCNYDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-2-7-16-10-13-8(11)12-9(14-10)15-5-3-4-6-15/h2-7H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 223.28 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 23009039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).