4-but-3-ynoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C14H21N5O — CID 106795533

IUPAC4-but-3-ynoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESC#CCCOc1nc(NCCC)nc(N2CCCC2)n1
InChIInChI=1S/C14H21N5O/c1-3-5-11-20-14-17-12(15-8-4-2)16-13(18-14)19-9-6-7-10-19/h1H,4-11H2,2H3,(H,15,16,17,18)
InChIKeyQDLRZCLIXJGNPU-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.70
Rot. Bonds7

About 4-but-3-ynoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-but-3-ynoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 106795533) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-but-3-ynoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-but-3-ynoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID106795533
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name4-but-3-ynoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESC#CCCOc1nc(NCCC)nc(N2CCCC2)n1
InChIInChI=1S/C14H21N5O/c1-3-5-11-20-14-17-12(15-8-4-2)16-13(18-14)19-9-6-7-10-19/h1H,4-11H2,2H3,(H,15,16,17,18)
InChIKeyQDLRZCLIXJGNPU-UHFFFAOYSA-N
XLogP1.70
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(azepan-1-yl)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 80750532
4-but-3-ynoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106795532
N-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80842497
4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80767228
N-methyl-4-pentoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80865018
4-methoxy-6-(4-methyl-1,4-diazepan-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80765758
4-ethoxy-6-(4-ethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80780550
4-[2-(dimethylamino)ethoxy]-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80879166
4-hexoxy-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80842498
4-methoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 80766525
2-N-cyclopropyl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770624
4-butyl-6-piperidin-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 106659328

Frequently Asked Questions

What is the IUPAC name of 4-but-3-ynoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-but-3-ynoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 106795533) is 4-but-3-ynoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-but-3-ynoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-but-3-ynoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is C#CCCOc1nc(NCCC)nc(N2CCCC2)n1.
What is the InChIKey of 4-but-3-ynoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is QDLRZCLIXJGNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-5-11-20-14-17-12(15-8-4-2)16-13(18-14)19-9-6-7-10-19/h1H,4-11H2,2H3,(H,15,16,17,18).
What are the key properties of 4-but-3-ynoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-but-3-ynoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 275.36 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-ynoxy-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 106795533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).