2-(methoxymethyl)-6-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidin-4-amine

C15H23F3N4O — CID 133486689

IUPAC2-(methoxymethyl)-6-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidin-4-amine
SMILESCOCc1nc(C)cc(NCC2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C15H23F3N4O/c1-11-7-13(21-14(20-11)9-23-2)19-8-12-3-5-22(6-4-12)10-15(16,17)18/h7,12H,3-6,8-10H2,1-2H3,(H,19,20,21)
InChIKeyIJOMXLDWWFRDKG-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.62
Rot. Bonds6

About 2-(methoxymethyl)-6-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidin-4-amine

2-(methoxymethyl)-6-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidin-4-amine (PubChem CID 133486689) has the molecular formula C15H23F3N4O and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-6-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidin-4-amine
PubChem CID133486689
Molecular FormulaC15H23F3N4O
Molecular Weight332.37 g/mol
Exact Mass332.18
IUPAC Name2-(methoxymethyl)-6-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidin-4-amine
SMILESCOCc1nc(C)cc(NCC2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C15H23F3N4O/c1-11-7-13(21-14(20-11)9-23-2)19-8-12-3-5-22(6-4-12)10-15(16,17)18/h7,12H,3-6,8-10H2,1-2H3,(H,19,20,21)
InChIKeyIJOMXLDWWFRDKG-UHFFFAOYSA-N
XLogP2.62
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(methoxymethyl)-6-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidin-4-amine with MolForge

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Related Compounds

4,6-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
CID 60856650
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133399496
N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 136529582
2-(methoxymethyl)-6-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 133417448
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 133486651
N-(cyclopropylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 60732015
6-(3-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridazin-3-amine
CID 133486674
6-pyrazol-1-yl-4-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidine-2,4-diamine
CID 133486848
4-methyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-2-amine
CID 133486685
2-N,6-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 80812413
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine
CID 54939293
2-(methoxymethyl)-4-methyl-6-(trifluoromethyl)pyrimidine
CID 59096535

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-6-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidin-4-amine (CID 133486689) is 2-(methoxymethyl)-6-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-6-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-6-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidin-4-amine is COCc1nc(C)cc(NCC2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of 2-(methoxymethyl)-6-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidin-4-amine?
The InChIKey is IJOMXLDWWFRDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O/c1-11-7-13(21-14(20-11)9-23-2)19-8-12-3-5-22(6-4-12)10-15(16,17)18/h7,12H,3-6,8-10H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(methoxymethyl)-6-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidin-4-amine?
2-(methoxymethyl)-6-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidin-4-amine has a molecular weight of 332.37 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 133486689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).