N-methyl-4-morpholin-4-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine

C9H12F3N5O — CID 3041953

IUPACN-methyl-4-morpholin-4-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESCNc1nc(N2CCOCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N5O/c1-13-7-14-6(9(10,11)12)15-8(16-7)17-2-4-18-5-3-17/h2-5H2,1H3,(H,13,14,15,16)
InChIKeyWVZBFQKMWGKBEL-UHFFFAOYSA-N
MW263.22 g/mol
LogP0.77
Rot. Bonds2

About N-methyl-4-morpholin-4-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine

N-methyl-4-morpholin-4-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 3041953) has the molecular formula C9H12F3N5O and a molecular weight of 263.22 g/mol. Its IUPAC name is N-methyl-4-morpholin-4-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-morpholin-4-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
PubChem CID3041953
Molecular FormulaC9H12F3N5O
Molecular Weight263.22 g/mol
Exact Mass263.10
IUPAC NameN-methyl-4-morpholin-4-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESCNc1nc(N2CCOCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N5O/c1-13-7-14-6(9(10,11)12)15-8(16-7)17-2-4-18-5-3-17/h2-5H2,1H3,(H,13,14,15,16)
InChIKeyWVZBFQKMWGKBEL-UHFFFAOYSA-N
XLogP0.77
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-Triazin-2-amine, 4-methoxy-6-(4-morpholinylmethyl)-
CID 199954
1-Piperazineethanol, 4-(4-amino-6-trifluoromethyl-2-s-triazinyl)-
CID 3041956
1,3,5-Triazin-2-amine, N-methyl-4-(4-morpholinyl)-6-propyl-, monohydrochloride
CID 3080167
6-(Ethylamino)-4-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 672046
N-methyl-4-(4-morpholinyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 879151
4-Dimethylamino-6-morpholin-4-yl-[1,3,5]triazine-2-carbonitrile
CID 1088873
1,3,5-Triazine, 2-methyl-4-(4-morpholinyl)-6-(trifluoromethyl)-
CID 3041949
1,3,5-Triazine-2-amine, N-(1-methylethyl)-4-(4-morpholinyl)-6-(trifluoromethyl)-
CID 3041962
Vbkrvbwyslcrfo-uhfffaoysa-
CID 21605225
1,3,5-Triazine,A-24
CID 3080168
6-(difluoromethyl)-2-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 132395027
1,3,5-Triazine, 2-morpholino-4,6-bis(perfluoro-tert-butyl)-
CID 549881

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-morpholin-4-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-morpholin-4-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine (CID 3041953) is N-methyl-4-morpholin-4-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-morpholin-4-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-morpholin-4-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine is CNc1nc(N2CCOCC2)nc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-4-morpholin-4-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is WVZBFQKMWGKBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N5O/c1-13-7-14-6(9(10,11)12)15-8(16-7)17-2-4-18-5-3-17/h2-5H2,1H3,(H,13,14,15,16).
What are the key properties of N-methyl-4-morpholin-4-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
N-methyl-4-morpholin-4-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 263.22 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-morpholin-4-yl-6-(trifluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 3041953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).