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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Related Compounds

6-(methoxymethyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine
CID 72891572
6-(methoxymethyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine
CID 138018974
6-(methoxymethyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrimidin-4-amine
CID 72840493
N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
CID 61226702
N-[(3,4-dimethoxyphenyl)methyl]-6-propylpyrimidin-4-amine
CID 61240335
2-tert-butyl-6-(methoxymethyl)-N-[(4-methoxy-3-methylphenyl)methyl]pyrimidin-4-amine
CID 133401023
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 145221185
6-methyl-N-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]pyrimidin-4-amine
CID 138052383
6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66328025
N-[[5-chloro-2-(3,4-dimethylphenoxy)phenyl]methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 139015930
[4-[[(6-propylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 107232280
6-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 55140338

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).