6-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine

C9H12F3N3O — CID 60892704

IUPAC6-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
SMILESCOc1nc(N(C)CC(F)(F)F)ccc1N
InChIInChI=1S/C9H12F3N3O/c1-15(5-9(10,11)12)7-4-3-6(13)8(14-7)16-2/h3-4H,5,13H2,1-2H3
InChIKeyHKBRZPNIECHWQQ-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.67
Rot. Bonds3

About 6-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine

6-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine (PubChem CID 60892704) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 6-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
PubChem CID60892704
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name6-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
SMILESCOc1nc(N(C)CC(F)(F)F)ccc1N
InChIInChI=1S/C9H12F3N3O/c1-15(5-9(10,11)12)7-4-3-6(13)8(14-7)16-2/h3-4H,5,13H2,1-2H3
InChIKeyHKBRZPNIECHWQQ-UHFFFAOYSA-N
XLogP1.67
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-6-methoxy-2-N-methylpyridine-2,5-diamine
CID 43263118
6-methoxy-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43260741
2-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]ethanol;dihydrochloride
CID 159916025
2-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]acetic acid
CID 62253678
2-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
CID 43374936
1-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
CID 54993621
6-methoxy-2-N-methyl-2-N-pentan-3-ylpyridine-2,5-diamine
CID 43570932
4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80791966
6-methoxy-2-N-methyl-2-N-[(3-methylphenyl)methyl]pyridine-2,5-diamine
CID 61413982
6-methoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
CID 43261093
6-methoxy-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
CID 43587868
2-[(5-amino-6-methoxy-2-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 43588124

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The IUPAC name of 6-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine (CID 60892704) is 6-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The canonical SMILES for 6-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine is COc1nc(N(C)CC(F)(F)F)ccc1N.
What is the InChIKey of 6-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The InChIKey is HKBRZPNIECHWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-15(5-9(10,11)12)7-4-3-6(13)8(14-7)16-2/h3-4H,5,13H2,1-2H3.
What are the key properties of 6-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
6-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine has a molecular weight of 235.21 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine is sourced from PubChem (CID 60892704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).