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

C11H19N5O2 — CID 3121124

IUPAC2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESC=CCNc1nc(NC(C)(C)CO)nc(OC)n1
InChIInChI=1S/C11H19N5O2/c1-5-6-12-8-13-9(15-10(14-8)18-4)16-11(2,3)7-17/h5,17H,1,6-7H2,2-4H3,(H2,12,13,14,15,16)
InChIKeyXVJPTBAPCCJKHJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.66
Rot. Bonds7

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

2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (PubChem CID 3121124) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
PubChem CID3121124
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESC=CCNc1nc(NC(C)(C)CO)nc(OC)n1
InChIInChI=1S/C11H19N5O2/c1-5-6-12-8-13-9(15-10(14-8)18-4)16-11(2,3)7-17/h5,17H,1,6-7H2,2-4H3,(H2,12,13,14,15,16)
InChIKeyXVJPTBAPCCJKHJ-UHFFFAOYSA-N
XLogP0.66
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[4-methoxy-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-ethoxy-1,3,5-triazin-2-yl]amino}-2-methylpropan-1-ol
CID 3238010
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
2-{[4-(Allylamino)-6-chloro-1,3,5-triazin-2-yl]amino}ethanol
CID 2054853
3-[[4-Ethoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 3394887
2-[[4-Chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 22333149
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
CID 23816463
(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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (CID 3121124) is 2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is C=CCNc1nc(NC(C)(C)CO)nc(OC)n1.
What is the InChIKey of 2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The InChIKey is XVJPTBAPCCJKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-5-6-12-8-13-9(15-10(14-8)18-4)16-11(2,3)7-17/h5,17H,1,6-7H2,2-4H3,(H2,12,13,14,15,16).
What are the key properties of 2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 3121124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).