2-N-but-3-yn-2-yl-6-(1-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine

C13H21N5O — CID 118441104

IUPAC2-N-but-3-yn-2-yl-6-(1-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESC#CC(C)Nc1nc(NCCC)nc(C(C)OC)n1
InChIInChI=1S/C13H21N5O/c1-6-8-14-12-16-11(10(4)19-5)17-13(18-12)15-9(3)7-2/h2,9-10H,6,8H2,1,3-5H3,(H2,14,15,16,17,18)
InChIKeyHCDIVXFKPOGIFG-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.83
Rot. Bonds7

About 2-N-but-3-yn-2-yl-6-(1-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine

2-N-but-3-yn-2-yl-6-(1-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 118441104) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-N-but-3-yn-2-yl-6-(1-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-but-3-yn-2-yl-6-(1-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID118441104
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-N-but-3-yn-2-yl-6-(1-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESC#CC(C)Nc1nc(NCCC)nc(C(C)OC)n1
InChIInChI=1S/C13H21N5O/c1-6-8-14-12-16-11(10(4)19-5)17-13(18-12)15-9(3)7-2/h2,9-10H,6,8H2,1,3-5H3,(H2,14,15,16,17,18)
InChIKeyHCDIVXFKPOGIFG-UHFFFAOYSA-N
XLogP1.83
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-N-but-3-yn-2-yl-6-(1-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

1,3,5-Triazin-2-amine, 4-ethoxy-6-ethyl-N-(1-methylethyl)-
CID 199910
1,3,5-Triazin-2-amine, N,4-diethyl-6-(1-methylethoxy)-
CID 3044741
1,3,5-Triazine-2,4-diamine, N-ethyl-6-methoxymethyl-N'-(1-methylethyl)-
CID 188779
(3-((4-Amino-6-methyl-1,3,5-triazin-2-yl)amino)-2-methoxypropyl)chloromercury
CID 11971882
Methyl-4,6-bis(isopropylamino)-1,3,5-triazine-2-carboximidate
CID 616932
6-morpholin-2-yl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 90025420
2-N,6-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 175529696
[4,6-Bis(propan-2-ylamino)-1,3,5-triazin-2-yl]methoxymethylcyanamide
CID 22299420
2-N-(2-butoxyethyl)-6-ethyl-1,3,5-triazine-2,4-diamine
CID 112746097
6-tert-butyl-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 112746250
2-N-(1-methoxybutan-2-yl)-6-propyl-1,3,5-triazine-2,4-diamine
CID 112746251
2-N-(2-ethoxypropyl)-6-propyl-1,3,5-triazine-2,4-diamine
CID 112746348

Frequently Asked Questions

What is the IUPAC name of 2-N-but-3-yn-2-yl-6-(1-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-but-3-yn-2-yl-6-(1-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 118441104) is 2-N-but-3-yn-2-yl-6-(1-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-but-3-yn-2-yl-6-(1-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-but-3-yn-2-yl-6-(1-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine is C#CC(C)Nc1nc(NCCC)nc(C(C)OC)n1.
What is the InChIKey of 2-N-but-3-yn-2-yl-6-(1-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HCDIVXFKPOGIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-6-8-14-12-16-11(10(4)19-5)17-13(18-12)15-9(3)7-2/h2,9-10H,6,8H2,1,3-5H3,(H2,14,15,16,17,18).
What are the key properties of 2-N-but-3-yn-2-yl-6-(1-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-but-3-yn-2-yl-6-(1-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 263.34 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-but-3-yn-2-yl-6-(1-methoxyethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 118441104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).