6-ethoxy-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

C10H17N5O — CID 602118

IUPAC6-ethoxy-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(OCC)nc(N(C)C)n1
InChIInChI=1S/C10H17N5O/c1-5-7-11-8-12-9(15(3)4)14-10(13-8)16-6-2/h5H,1,6-7H2,2-4H3,(H,11,12,13,14)
InChIKeyCFWUOXDEJCPSPV-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.93
Rot. Bonds6

About 6-ethoxy-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 602118) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-ethoxy-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID602118
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name6-ethoxy-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(OCC)nc(N(C)C)n1
InChIInChI=1S/C10H17N5O/c1-5-7-11-8-12-9(15(3)4)14-10(13-8)16-6-2/h5H,1,6-7H2,2-4H3,(H,11,12,13,14)
InChIKeyCFWUOXDEJCPSPV-UHFFFAOYSA-N
XLogP0.93
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-allyl-N'-ethyl-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 2295099
4,6-Dimethoxy-N-2-propen-1-yl-1,3,5-triazin-2-amine
CID 2056933
Cambridge id 6807868
CID 35116
6-(allyloxy)-N~2~,N~4~-diisopropyl-1,3,5-triazine-2,4-diamine
CID 6618995
Cambridge id 5304492
CID 2056339
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-Butoxy-4,6-bis(ethylamino)-S-triazine
CID 35115
2-Allylamino-4-amino-6-methoxy-s-triazine
CID 459154
2,4-Bis(allylamino)-6-butoxy-s-triazine
CID 459157
4,6-Bis(allyloxy)-N-butyl-1,3,5-triazin-2-amine
CID 104663

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 602118) is 6-ethoxy-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(OCC)nc(N(C)C)n1.
What is the InChIKey of 6-ethoxy-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is CFWUOXDEJCPSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-5-7-11-8-12-9(15(3)4)14-10(13-8)16-6-2/h5H,1,6-7H2,2-4H3,(H,11,12,13,14).
What are the key properties of 6-ethoxy-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 223.28 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 602118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).