4-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine

C16H20F3N5O — CID 128979322

IUPAC4-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(C(F)(F)F)nc(NC(c2nccn2C)C2CCOCC2)n1
InChIInChI=1S/C16H20F3N5O/c1-10-9-12(16(17,18)19)22-15(21-10)23-13(11-3-7-25-8-4-11)14-20-5-6-24(14)2/h5-6,9,11,13H,3-4,7-8H2,1-2H3,(H,21,22,23)
InChIKeyFGMQMMBLYKXQFP-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.12
Rot. Bonds4

About 4-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine

4-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 128979322) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is 4-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID128979322
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name4-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(C(F)(F)F)nc(NC(c2nccn2C)C2CCOCC2)n1
InChIInChI=1S/C16H20F3N5O/c1-10-9-12(16(17,18)19)22-15(21-10)23-13(11-3-7-25-8-4-11)14-20-5-6-24(14)2/h5-6,9,11,13H,3-4,7-8H2,1-2H3,(H,21,22,23)
InChIKeyFGMQMMBLYKXQFP-UHFFFAOYSA-N
XLogP3.12
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine (CID 128979322) is 4-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine is Cc1cc(C(F)(F)F)nc(NC(c2nccn2C)C2CCOCC2)n1.
What is the InChIKey of 4-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is FGMQMMBLYKXQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-10-9-12(16(17,18)19)22-15(21-10)23-13(11-3-7-25-8-4-11)14-20-5-6-24(14)2/h5-6,9,11,13H,3-4,7-8H2,1-2H3,(H,21,22,23).
What are the key properties of 4-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine?
4-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 355.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 128979322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).