4-(difluoromethyl)-6-methoxy-1,3,5-triazin-2-amine

C5H6F2N4O — CID 18472023

IUPAC4-(difluoromethyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(C(F)F)n1
InChIInChI=1S/C5H6F2N4O/c1-12-5-10-3(2(6)7)9-4(8)11-5/h2H,1H3,(H2,8,9,10,11)
InChIKeyNATFMZGNQCJSCM-UHFFFAOYSA-N
MW176.13 g/mol
LogP0.40
Rot. Bonds2

About 4-(difluoromethyl)-6-methoxy-1,3,5-triazin-2-amine

4-(difluoromethyl)-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 18472023) has the molecular formula C5H6F2N4O and a molecular weight of 176.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-methoxy-1,3,5-triazin-2-amine
PubChem CID18472023
Molecular FormulaC5H6F2N4O
Molecular Weight176.13 g/mol
Exact Mass176.05
IUPAC Name4-(difluoromethyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(C(F)F)n1
InChIInChI=1S/C5H6F2N4O/c1-12-5-10-3(2(6)7)9-4(8)11-5/h2H,1H3,(H2,8,9,10,11)
InChIKeyNATFMZGNQCJSCM-UHFFFAOYSA-N
XLogP0.40
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.13
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-4-methoxy-6-methyl-1,3,5-triazine
CID 15466
4-Methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 199948
s-Triazine, 2-amino-4-methyl-6-(trifluoromethyl)-
CID 168866
4-Ethoxy-6-methyl-1,3,5-triazin-2-amine
CID 77490
4-Ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 69701
1,3,5-Triazin-2-amine, 4-ethoxy-6-(trifluoromethyl)-
CID 199947
4-Chloro-6-(difluoromethyl)-1,3,5-triazin-2-amine
CID 79006197
2-Difluoromethyl-4-amino-6-methylamino-s-triazine
CID 129787032
Formaldehyde;6-methyl-1,3,5-triazine-2,4-diamine
CID 67230306
6-(Difluoromethyl)-1,3,5-triazine-2,4-diamine
CID 44725305
1,3,5-Triazin-2-amine, 4-propoxy-6-(trifluoromethyl)-
CID 10900193
6-(2,2,2-Trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 14512633

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(difluoromethyl)-6-methoxy-1,3,5-triazin-2-amine (CID 18472023) is 4-(difluoromethyl)-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-6-methoxy-1,3,5-triazin-2-amine is COc1nc(N)nc(C(F)F)n1.
What is the InChIKey of 4-(difluoromethyl)-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is NATFMZGNQCJSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N4O/c1-12-5-10-3(2(6)7)9-4(8)11-5/h2H,1H3,(H2,8,9,10,11).
What are the key properties of 4-(difluoromethyl)-6-methoxy-1,3,5-triazin-2-amine?
4-(difluoromethyl)-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 176.13 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 18472023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).