N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-propoxy-1,3,5-triazin-2-amine

C10H13F5N4O2 — CID 80871130

IUPACN-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(OCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C10H13F5N4O2/c1-3-4-20-7-17-6(16-2)18-8(19-7)21-5-9(11,12)10(13,14)15/h3-5H2,1-2H3,(H,16,17,18,19)
InChIKeyZZTDCPJTNUSAJY-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.28
Rot. Bonds7

About N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-propoxy-1,3,5-triazin-2-amine

N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80871130) has the molecular formula C10H13F5N4O2 and a molecular weight of 316.23 g/mol. Its IUPAC name is N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80871130
Molecular FormulaC10H13F5N4O2
Molecular Weight316.23 g/mol
Exact Mass316.10
IUPAC NameN-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(OCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C10H13F5N4O2/c1-3-4-20-7-17-6(16-2)18-8(19-7)21-5-9(11,12)10(13,14)15/h3-5H2,1-2H3,(H,16,17,18,19)
InChIKeyZZTDCPJTNUSAJY-UHFFFAOYSA-N
XLogP2.28
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-propoxy-1,3,5-triazin-2-amine with MolForge

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Related Compounds

N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
N-methyl-4-(2-methylbutan-2-yloxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80861625
4-(3-methoxy-3-methylbutoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 106669255
4-N-methyl-2-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80767949
2-N-butan-2-yl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80765920
4-(cyclopropylmethoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80865430
2-N-[2-(dimethylamino)-2-methylpropyl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80815568
[4-propoxy-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-yl]hydrazine
CID 82958871
2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 80843434
4-(2-methoxyphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80867540
3-ethyl-1-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106289027
2-methyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propanamide
CID 80819069

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-propoxy-1,3,5-triazin-2-amine (CID 80871130) is N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NC)nc(OCC(F)(F)C(F)(F)F)n1.
What is the InChIKey of N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is ZZTDCPJTNUSAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F5N4O2/c1-3-4-20-7-17-6(16-2)18-8(19-7)21-5-9(11,12)10(13,14)15/h3-5H2,1-2H3,(H,16,17,18,19).
What are the key properties of N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-propoxy-1,3,5-triazin-2-amine?
N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 316.23 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80871130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).