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

C9H14N6O — CID 90175598

IUPAC2-N-methoxy-2-N,6-N-dimethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
SMILESC#CCNc1nc(NC)nc(N(C)OC)n1
InChIInChI=1S/C9H14N6O/c1-5-6-11-8-12-7(10-2)13-9(14-8)15(3)16-4/h1H,6H2,2-4H3,(H2,10,11,12,13,14)
InChIKeyKOPMQUBVMONLGK-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.04
Rot. Bonds5

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

2-N-methoxy-2-N,6-N-dimethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 90175598) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-N-methoxy-2-N,6-N-dimethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-methoxy-2-N,6-N-dimethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
PubChem CID90175598
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name2-N-methoxy-2-N,6-N-dimethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
SMILESC#CCNc1nc(NC)nc(N(C)OC)n1
InChIInChI=1S/C9H14N6O/c1-5-6-11-8-12-7(10-2)13-9(14-8)15(3)16-4/h1H,6H2,2-4H3,(H2,10,11,12,13,14)
InChIKeyKOPMQUBVMONLGK-UHFFFAOYSA-N
XLogP-0.04
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.04
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-methoxy-2-N,6-N-dimethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

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
(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
6-chloro-2-N,4-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4-diamine;ethoxyethane;N-methoxymethanamine;bis(2-N-methoxy-2-N-methyl-4-N,6-N-bis(prop-2-ynyl)-1,3,5-triazine-2,4,6-triamine);prop-2-yn-1-amine;2,4,6-trichloro-1,3,5-triazine;tetrahydrochloride
CID 159191167
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
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-N-dimethyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 90159200
2-N,2-N,4-N-trimethyl-6-prop-2-ynoxy-1,3,5-triazine-2,4-diamine
CID 80861381
2-N-methoxy-4-N-(methoxymethyl)-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 89060063
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-methoxy-4-N-methyl-2-N-propyl-6-N-prop-2-ynylpyrimidine-2,4,6-triamine;hydrochloride
CID 118432305
2-N-methoxy-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 118432263
CID 58779906
CID 58779906

Frequently Asked Questions

What is the IUPAC name of 2-N-methoxy-2-N,6-N-dimethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-methoxy-2-N,6-N-dimethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine (CID 90175598) is 2-N-methoxy-2-N,6-N-dimethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-methoxy-2-N,6-N-dimethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-methoxy-2-N,6-N-dimethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine is C#CCNc1nc(NC)nc(N(C)OC)n1.
What is the InChIKey of 2-N-methoxy-2-N,6-N-dimethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is KOPMQUBVMONLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c1-5-6-11-8-12-7(10-2)13-9(14-8)15(3)16-4/h1H,6H2,2-4H3,(H2,10,11,12,13,14).
What are the key properties of 2-N-methoxy-2-N,6-N-dimethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine?
2-N-methoxy-2-N,6-N-dimethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 222.25 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methoxy-2-N,6-N-dimethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 90175598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).