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

C10H16N6O — CID 118432263

IUPAC2-N-methoxy-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
SMILESC#CCNc1nc(NCCC)nc(NOC)n1
InChIInChI=1S/C10H16N6O/c1-4-6-11-8-13-9(12-7-5-2)15-10(14-8)16-17-3/h1H,5-7H2,2-3H3,(H3,11,12,13,14,15,16)
InChIKeyQAGGPZKCXIAJNN-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.71
Rot. Bonds7

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

2-N-methoxy-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 118432263) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-N-methoxy-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-methoxy-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
PubChem CID118432263
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name2-N-methoxy-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
SMILESC#CCNc1nc(NCCC)nc(NOC)n1
InChIInChI=1S/C10H16N6O/c1-4-6-11-8-13-9(12-7-5-2)15-10(14-8)16-17-3/h1H,5-7H2,2-3H3,(H3,11,12,13,14,15,16)
InChIKeyQAGGPZKCXIAJNN-UHFFFAOYSA-N
XLogP0.71
TPSA83.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.71
H-Bond Donors ≤ 53
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-methoxy-6-N-propyl-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
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
(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-propoxy-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
CID 123408830
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
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
2-[[4-(methylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetonitrile
CID 123592748
6-chloro-4-N-propyl-2-N-prop-2-ynylpyrimidine-2,4-diamine
CID 90175589
4-N-methoxy-4-N-methyl-2-N-propyl-6-N-prop-2-ynylpyrimidine-2,4,6-triamine;hydrochloride
CID 118432305
4-N-(2-aminoethyl)-6-N-methyl-2-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 135043247
2-N-(2,2-difluoroethoxy)-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
CID 57378018
methyl 3-[[4-propoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate
CID 80775157

Frequently Asked Questions

What is the IUPAC name of 2-N-methoxy-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-methoxy-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine (CID 118432263) is 2-N-methoxy-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-methoxy-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-methoxy-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine is C#CCNc1nc(NCCC)nc(NOC)n1.
What is the InChIKey of 2-N-methoxy-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is QAGGPZKCXIAJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-4-6-11-8-13-9(12-7-5-2)15-10(14-8)16-17-3/h1H,5-7H2,2-3H3,(H3,11,12,13,14,15,16).
What are the key properties of 2-N-methoxy-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine?
2-N-methoxy-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 236.28 g/mol, XLogP of 0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methoxy-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 118432263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).