2-N,4-N-di(propan-2-yl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine

C12H21N5O — CID 6618995

IUPAC2-N,4-N-di(propan-2-yl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
SMILESC=CCOc1nc(NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C12H21N5O/c1-6-7-18-12-16-10(13-8(2)3)15-11(17-12)14-9(4)5/h6,8-9H,1,7H2,2-5H3,(H2,13,14,15,16,17)
InChIKeyKKNHBULVTCONBU-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.08
Rot. Bonds7

About 2-N,4-N-di(propan-2-yl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine

2-N,4-N-di(propan-2-yl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine (PubChem CID 6618995) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-N,4-N-di(propan-2-yl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-di(propan-2-yl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
PubChem CID6618995
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-N,4-N-di(propan-2-yl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
SMILESC=CCOc1nc(NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C12H21N5O/c1-6-7-18-12-16-10(13-8(2)3)15-11(17-12)14-9(4)5/h6,8-9H,1,7H2,2-5H3,(H2,13,14,15,16,17)
InChIKeyKKNHBULVTCONBU-UHFFFAOYSA-N
XLogP2.08
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-N,4-N-di(propan-2-yl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

6-ethoxy-N2-ethyl-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 779529
6-Ethoxy-N,N'-diisopropyl-[1,3,5]triazine-2,4-diamine
CID 35306
Cambridge id 6807868
CID 35116
6-(allyloxy)-N'-ethyl-N,N-dimethyl-1,3,5-triazine-2,4-diamine
CID 2055870
2,4-Diallylamino-6-allyloxy-sym-triazine
CID 89303317
2,4-Bis(allylamino)-6-butoxy-s-triazine
CID 459157
4,6-Bis(allyloxy)-N-butyl-1,3,5-triazin-2-amine
CID 104663
4,6-Diallyloxy-N-octyl-1,3,5-triazin-2-amine
CID 16205625
1,3,5-Triazine, 2-allylamino-4-ethoxy-6-dimethylamino-
CID 602118
2-((4,6-Bis(allyloxy)-1,3,5-triazin-2-yl)amino)ethanol
CID 6453153
N~2~-allyl-N~4~-(tert-butyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 4287366
4-chloro-6-prop-2-enoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 20463

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-di(propan-2-yl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-di(propan-2-yl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine (CID 6618995) is 2-N,4-N-di(propan-2-yl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-di(propan-2-yl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-di(propan-2-yl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine is C=CCOc1nc(NC(C)C)nc(NC(C)C)n1.
What is the InChIKey of 2-N,4-N-di(propan-2-yl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is KKNHBULVTCONBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-6-7-18-12-16-10(13-8(2)3)15-11(17-12)14-9(4)5/h6,8-9H,1,7H2,2-5H3,(H2,13,14,15,16,17).
What are the key properties of 2-N,4-N-di(propan-2-yl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine?
2-N,4-N-di(propan-2-yl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 251.33 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-di(propan-2-yl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 6618995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).