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

C10H14FN5O — CID 176847625

IUPAC6-(fluoromethoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(OCF)n1
InChIInChI=1S/C10H14FN5O/c1-3-5-12-8-14-9(13-6-4-2)16-10(15-8)17-7-11/h3-4H,1-2,5-7H2,(H2,12,13,14,15,16)
InChIKeyPSVIDYFMZMNYFK-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.37
Rot. Bonds8

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

6-(fluoromethoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 176847625) has the molecular formula C10H14FN5O and a molecular weight of 239.25 g/mol. Its IUPAC name is 6-(fluoromethoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(fluoromethoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID176847625
Molecular FormulaC10H14FN5O
Molecular Weight239.25 g/mol
Exact Mass239.12
IUPAC Name6-(fluoromethoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(OCF)n1
InChIInChI=1S/C10H14FN5O/c1-3-5-12-8-14-9(13-6-4-2)16-10(15-8)17-7-11/h3-4H,1-2,5-7H2,(H2,12,13,14,15,16)
InChIKeyPSVIDYFMZMNYFK-UHFFFAOYSA-N
XLogP1.37
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

N,N'-Diallyl-6-chloro-1,3,5-triazine-2,4-diamine
CID 27306
4,6-Dimethoxy-N-2-propen-1-yl-1,3,5-triazin-2-amine
CID 2056933
Cambridge id 5304492
CID 2056339
1,3,5-Triazine-2,4,6-triamine, N,N'-di-2-propenyl-
CID 35075
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
1,3,5-Triazine, 2-allylamino-4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-
CID 549774
4-chloro-N-prop-2-enyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006210
N-prop-2-enyl-4,6-bis(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006212
4-chloro-6-[chloro(difluoro)methoxy]-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 19006215

Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(fluoromethoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 176847625) is 6-(fluoromethoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(fluoromethoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(fluoromethoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NCC=C)nc(OCF)n1.
What is the InChIKey of 6-(fluoromethoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is PSVIDYFMZMNYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN5O/c1-3-5-12-8-14-9(13-6-4-2)16-10(15-8)17-7-11/h3-4H,1-2,5-7H2,(H2,12,13,14,15,16).
What are the key properties of 6-(fluoromethoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
6-(fluoromethoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 239.25 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethoxy)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 176847625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).