4-methoxy-6-methyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrimidin-2-amine

C11H12F3N5O — CID 136559616

IUPAC4-methoxy-6-methyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(NCc2ncc(C(F)(F)F)[nH]2)n1
InChIInChI=1S/C11H12F3N5O/c1-6-3-9(20-2)19-10(17-6)16-5-8-15-4-7(18-8)11(12,13)14/h3-4H,5H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyJVSHSSDPGFTDSK-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.15
Rot. Bonds4

About 4-methoxy-6-methyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrimidin-2-amine

4-methoxy-6-methyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrimidin-2-amine (PubChem CID 136559616) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is 4-methoxy-6-methyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-methyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrimidin-2-amine
PubChem CID136559616
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name4-methoxy-6-methyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(NCc2ncc(C(F)(F)F)[nH]2)n1
InChIInChI=1S/C11H12F3N5O/c1-6-3-9(20-2)19-10(17-6)16-5-8-15-4-7(18-8)11(12,13)14/h3-4H,5H2,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyJVSHSSDPGFTDSK-UHFFFAOYSA-N
XLogP2.15
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-methyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrimidin-2-amine (CID 136559616) is 4-methoxy-6-methyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-methyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-methyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrimidin-2-amine is COc1cc(C)nc(NCc2ncc(C(F)(F)F)[nH]2)n1.
What is the InChIKey of 4-methoxy-6-methyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is JVSHSSDPGFTDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-6-3-9(20-2)19-10(17-6)16-5-8-15-4-7(18-8)11(12,13)14/h3-4H,5H2,1-2H3,(H,15,18)(H,16,17,19).
What are the key properties of 4-methoxy-6-methyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrimidin-2-amine?
4-methoxy-6-methyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 287.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 136559616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).