2-N-methyl-6-N-propyl-2-N-prop-2-ynoxy-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine

C13H18N6O — CID 90175611

IUPAC2-N-methyl-6-N-propyl-2-N-prop-2-ynoxy-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
SMILESC#CCNc1nc(NCCC)nc(N(C)OCC#C)n1
InChIInChI=1S/C13H18N6O/c1-5-8-14-11-16-12(15-9-6-2)18-13(17-11)19(4)20-10-7-3/h1,3H,6,8-10H2,2,4H3,(H2,14,15,16,17,18)
InChIKeyQBQPECRWHCDPJF-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.74
Rot. Bonds8

About 2-N-methyl-6-N-propyl-2-N-prop-2-ynoxy-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine

2-N-methyl-6-N-propyl-2-N-prop-2-ynoxy-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 90175611) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-N-methyl-6-N-propyl-2-N-prop-2-ynoxy-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-methyl-6-N-propyl-2-N-prop-2-ynoxy-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
PubChem CID90175611
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-N-methyl-6-N-propyl-2-N-prop-2-ynoxy-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
SMILESC#CCNc1nc(NCCC)nc(N(C)OCC#C)n1
InChIInChI=1S/C13H18N6O/c1-5-8-14-11-16-12(15-9-6-2)18-13(17-11)19(4)20-10-7-3/h1,3H,6,8-10H2,2,4H3,(H2,14,15,16,17,18)
InChIKeyQBQPECRWHCDPJF-UHFFFAOYSA-N
XLogP0.74
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-N-methyl-6-N-propyl-2-N-prop-2-ynoxy-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

2-N,2-N-dimethyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 90159200
(E)-but-2-enedioic acid;2-N-methoxy-2-N-methyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 74767750
2-N-methoxy-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 118432263
2-N-methoxy-2-N,6-N-dimethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 90175598
2-N-(cyclopropylmethoxy)-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;sulfuric acid
CID 86665988
4-N-methoxy-4-N-methyl-2-N-propyl-6-N-prop-2-ynylpyrimidine-2,4,6-triamine;hydrochloride
CID 118432305
4-N-(2,2-dimethylpropyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80797913
6-chloro-4-N-propyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine;ethoxyethane;methanamine;bis(6-N-methyl-4-N-propyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine);dihydrochloride
CID 159712859
4-N-cyclohexyl-2-N-methoxy-2-N-methyl-6-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 118432233
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149
6-chloro-4-N-propyl-2-N-prop-2-ynylpyrimidine-2,4-diamine
CID 90175589
2-N,2-N-dimethyl-4-N-(2-methylpropyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80770907

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-propyl-2-N-prop-2-ynoxy-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-methyl-6-N-propyl-2-N-prop-2-ynoxy-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine (CID 90175611) is 2-N-methyl-6-N-propyl-2-N-prop-2-ynoxy-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-methyl-6-N-propyl-2-N-prop-2-ynoxy-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-methyl-6-N-propyl-2-N-prop-2-ynoxy-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine is C#CCNc1nc(NCCC)nc(N(C)OCC#C)n1.
What is the InChIKey of 2-N-methyl-6-N-propyl-2-N-prop-2-ynoxy-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is QBQPECRWHCDPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-5-8-14-11-16-12(15-9-6-2)18-13(17-11)19(4)20-10-7-3/h1,3H,6,8-10H2,2,4H3,(H2,14,15,16,17,18).
What are the key properties of 2-N-methyl-6-N-propyl-2-N-prop-2-ynoxy-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine?
2-N-methyl-6-N-propyl-2-N-prop-2-ynoxy-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 274.33 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-N-propyl-2-N-prop-2-ynoxy-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 90175611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).