6-methoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

C10H15N5O — CID 2056339

IUPAC6-methoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(OC)n1
InChIInChI=1S/C10H15N5O/c1-4-6-11-8-13-9(12-7-5-2)15-10(14-8)16-3/h4-5H,1-2,6-7H2,3H3,(H2,11,12,13,14,15)
InChIKeyXJLSHJLHKYZIEK-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.08
Rot. Bonds7

About 6-methoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

6-methoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 2056339) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-methoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID2056339
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name6-methoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(OC)n1
InChIInChI=1S/C10H15N5O/c1-4-6-11-8-13-9(12-7-5-2)15-10(14-8)16-3/h4-5H,1-2,6-7H2,3H3,(H2,11,12,13,14,15)
InChIKeyXJLSHJLHKYZIEK-UHFFFAOYSA-N
XLogP1.08
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-methoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

Simeton
CID 12654
4-Methoxy-6-methyl-N-(prop-2-en-1-yl)-1,3,5-triazin-2-amine
CID 657559
N,N'-Diallyl-6-chloro-1,3,5-triazine-2,4-diamine
CID 27306
N-Allyl-N-cyano-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine
CID 621427
4,6-Dimethoxy-N-2-propen-1-yl-1,3,5-triazin-2-amine
CID 2056933
Cambridge id 6807868
CID 35116
1,3,5-Triazine-2,4,6-triamine, N,N'-di-2-propenyl-
CID 35075
6-(allyloxy)-N'-ethyl-N,N-dimethyl-1,3,5-triazine-2,4-diamine
CID 2055870
2,4,6-Triallylamino-sym-triazine
CID 35080
2,4-Diallylamino-6-allyloxy-sym-triazine
CID 89303317
2-Allylamino-4-amino-6-methoxy-s-triazine
CID 459154
2,4-Bis(allylamino)-6-butoxy-s-triazine
CID 459157

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 2056339) is 6-methoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NCC=C)nc(OC)n1.
What is the InChIKey of 6-methoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is XJLSHJLHKYZIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-4-6-11-8-13-9(12-7-5-2)15-10(14-8)16-3/h4-5H,1-2,6-7H2,3H3,(H2,11,12,13,14,15).
What are the key properties of 6-methoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
6-methoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 221.26 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2056339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).