2-methyl-N-[[6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine

C13H20F3N3O — CID 103476573

IUPAC2-methyl-N-[[6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
SMILESCc1cc(CNCC(C)C)nc(COCC(F)(F)F)n1
InChIInChI=1S/C13H20F3N3O/c1-9(2)5-17-6-11-4-10(3)18-12(19-11)7-20-8-13(14,15)16/h4,9,17H,5-8H2,1-3H3
InChIKeyPOWOUKQWVDSJEM-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.61
Rot. Bonds7

About 2-methyl-N-[[6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine

2-methyl-N-[[6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine (PubChem CID 103476573) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-methyl-N-[[6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
PubChem CID103476573
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name2-methyl-N-[[6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
SMILESCc1cc(CNCC(C)C)nc(COCC(F)(F)F)n1
InChIInChI=1S/C13H20F3N3O/c1-9(2)5-17-6-11-4-10(3)18-12(19-11)7-20-8-13(14,15)16/h4,9,17H,5-8H2,1-3H3
InChIKeyPOWOUKQWVDSJEM-UHFFFAOYSA-N
XLogP2.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 103476567
2-methyl-N-[[6-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907602
2-methyl-N-[[2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 103476559
N-[[2-[2-(diethylamino)ethyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62744130
N-[[2-[(4-chlorophenyl)methyl]-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62746762
2-methyl-N-[[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 55073203
N-[[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 107456800
2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445604
N-[[4-ethyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 103476441
N-[[6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 79964514
2-methyl-N-[[2-(2,2,2-trifluoroethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62445215
N-[[2-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62746412

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine (CID 103476573) is 2-methyl-N-[[6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine is Cc1cc(CNCC(C)C)nc(COCC(F)(F)F)n1.
What is the InChIKey of 2-methyl-N-[[6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine?
The InChIKey is POWOUKQWVDSJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-9(2)5-17-6-11-4-10(3)18-12(19-11)7-20-8-13(14,15)16/h4,9,17H,5-8H2,1-3H3.
What are the key properties of 2-methyl-N-[[6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine?
2-methyl-N-[[6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine has a molecular weight of 291.32 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 103476573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).