2-[[4-ethoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol

C12H21N5O2 — CID 3238010

IUPAC2-[[4-ethoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESC=CCNc1nc(NC(C)(C)CO)nc(OCC)n1
InChIInChI=1S/C12H21N5O2/c1-5-7-13-9-14-10(17-12(3,4)8-18)16-11(15-9)19-6-2/h5,18H,1,6-8H2,2-4H3,(H2,13,14,15,16,17)
InChIKeyBDUCKRVPGWKMFB-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.05
Rot. Bonds8

About 2-[[4-ethoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol

2-[[4-ethoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (PubChem CID 3238010) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[[4-ethoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[4-ethoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
PubChem CID3238010
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-[[4-ethoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESC=CCNc1nc(NC(C)(C)CO)nc(OCC)n1
InChIInChI=1S/C12H21N5O2/c1-5-7-13-9-14-10(17-12(3,4)8-18)16-11(15-9)19-6-2/h5,18H,1,6-8H2,2-4H3,(H2,13,14,15,16,17)
InChIKeyBDUCKRVPGWKMFB-UHFFFAOYSA-N
XLogP1.05
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[4-ethoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol with MolForge

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Related Compounds

2-(4-Allylamino-6-methoxy-[1,3,5]triazin-2-ylamino)-2-methyl-propan-1-ol
CID 3121124
2-((4,6-Bis(allyloxy)-1,3,5-triazin-2-yl)amino)ethanol
CID 6453153
2-{[4-(Allylamino)-6-chloro-1,3,5-triazin-2-YL]amino}-2-methyl-1-propanol
CID 3121123
N~2~-allyl-N~4~-(tert-butyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 4287366
4,6-diethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 23310878
2-N-tert-butyl-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 70434138
3-[[4-Ethoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 3394887
(2R)-2-[[4-(3-methylbutylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 23844988
(2R)-2-[[4-(propan-2-ylamino)-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 23872926
2-[[4-Methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 80778428
2-[[4-Ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 80778433
2-Methyl-2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80778568

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[4-ethoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (CID 3238010) is 2-[[4-ethoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[4-ethoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[4-ethoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is C=CCNc1nc(NC(C)(C)CO)nc(OCC)n1.
What is the InChIKey of 2-[[4-ethoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The InChIKey is BDUCKRVPGWKMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-5-7-13-9-14-10(17-12(3,4)8-18)16-11(15-9)19-6-2/h5,18H,1,6-8H2,2-4H3,(H2,13,14,15,16,17).
What are the key properties of 2-[[4-ethoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
2-[[4-ethoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 1.05, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 3238010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).