2-N,2-N,4-N-trimethyl-6-prop-2-ynoxy-1,3,5-triazine-2,4-diamine

C9H13N5O — CID 80861381

IUPAC2-N,2-N,4-N-trimethyl-6-prop-2-ynoxy-1,3,5-triazine-2,4-diamine
SMILESC#CCOc1nc(NC)nc(N(C)C)n1
InChIInChI=1S/C9H13N5O/c1-5-6-15-9-12-7(10-2)11-8(13-9)14(3)4/h1H,6H2,2-4H3,(H,10,11,12,13)
InChIKeyBUFBGTQMOONJHY-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.01
Rot. Bonds4

About 2-N,2-N,4-N-trimethyl-6-prop-2-ynoxy-1,3,5-triazine-2,4-diamine

2-N,2-N,4-N-trimethyl-6-prop-2-ynoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80861381) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-N,2-N,4-N-trimethyl-6-prop-2-ynoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-trimethyl-6-prop-2-ynoxy-1,3,5-triazine-2,4-diamine
PubChem CID80861381
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name2-N,2-N,4-N-trimethyl-6-prop-2-ynoxy-1,3,5-triazine-2,4-diamine
SMILESC#CCOc1nc(NC)nc(N(C)C)n1
InChIInChI=1S/C9H13N5O/c1-5-6-15-9-12-7(10-2)11-8(13-9)14(3)4/h1H,6H2,2-4H3,(H,10,11,12,13)
InChIKeyBUFBGTQMOONJHY-UHFFFAOYSA-N
XLogP-0.01
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]acetic acid
CID 12641791
6-(2-cyclobutylethoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 106207650
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 102723624
2-N,2-N,4-N-trimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
CID 80860494
6-cyclobutyloxy-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80873893
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,2-N,4-N-trimethyl-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazine-2,4-diamine
CID 80872059
6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80782695
(4-ethoxy-6-prop-2-ynoxy-1,3,5-triazin-2-yl)hydrazine
CID 80913971
1-[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]-3-(2-prop-2-ynoxyphenyl)sulfonylurea
CID 23039271
6-(3,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80874464
2-[cyanomethyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetonitrile
CID 80753645

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-trimethyl-6-prop-2-ynoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-trimethyl-6-prop-2-ynoxy-1,3,5-triazine-2,4-diamine (CID 80861381) is 2-N,2-N,4-N-trimethyl-6-prop-2-ynoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-trimethyl-6-prop-2-ynoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-trimethyl-6-prop-2-ynoxy-1,3,5-triazine-2,4-diamine is C#CCOc1nc(NC)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N,4-N-trimethyl-6-prop-2-ynoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is BUFBGTQMOONJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-5-6-15-9-12-7(10-2)11-8(13-9)14(3)4/h1H,6H2,2-4H3,(H,10,11,12,13).
What are the key properties of 2-N,2-N,4-N-trimethyl-6-prop-2-ynoxy-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N-trimethyl-6-prop-2-ynoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 207.24 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-trimethyl-6-prop-2-ynoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80861381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).