6-(methoxymethyl)-N-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

C15H16F3N3O — CID 167965936

IUPAC6-(methoxymethyl)-N-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCOCc1cc(NCc2ccc(C(F)(F)F)c(C)c2)ncn1
InChIInChI=1S/C15H16F3N3O/c1-10-5-11(3-4-13(10)15(16,17)18)7-19-14-6-12(8-22-2)20-9-21-14/h3-6,9H,7-8H2,1-2H3,(H,19,20,21)
InChIKeyFQUDBHJWMFKEPK-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.56
Rot. Bonds5

About 6-(methoxymethyl)-N-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

6-(methoxymethyl)-N-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 167965936) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is 6-(methoxymethyl)-N-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-N-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID167965936
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name6-(methoxymethyl)-N-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCOCc1cc(NCc2ccc(C(F)(F)F)c(C)c2)ncn1
InChIInChI=1S/C15H16F3N3O/c1-10-5-11(3-4-13(10)15(16,17)18)7-19-14-6-12(8-22-2)20-9-21-14/h3-6,9H,7-8H2,1-2H3,(H,19,20,21)
InChIKeyFQUDBHJWMFKEPK-UHFFFAOYSA-N
XLogP3.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-N-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-(methoxymethyl)-N-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (CID 167965936) is 6-(methoxymethyl)-N-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-N-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-N-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is COCc1cc(NCc2ccc(C(F)(F)F)c(C)c2)ncn1.
What is the InChIKey of 6-(methoxymethyl)-N-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is FQUDBHJWMFKEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-10-5-11(3-4-13(10)15(16,17)18)7-19-14-6-12(8-22-2)20-9-21-14/h3-6,9H,7-8H2,1-2H3,(H,19,20,21).
What are the key properties of 6-(methoxymethyl)-N-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
6-(methoxymethyl)-N-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 311.31 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-N-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 167965936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).