N-[[4-[(2-aminopyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide

C14H13F3N4O2 — CID 86632758

IUPACN-[[4-[(2-aminopyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide
SMILESNc1nccc(OCc2ccc(CNC(=O)C(F)(F)F)cc2)n1
InChIInChI=1S/C14H13F3N4O2/c15-14(16,17)12(22)20-7-9-1-3-10(4-2-9)8-23-11-5-6-19-13(18)21-11/h1-6H,7-8H2,(H,20,22)(H2,18,19,21)
InChIKeyARKVMZJBXCQQOP-UHFFFAOYSA-N
MW326.28 g/mol
LogP1.82
Rot. Bonds5

About N-[[4-[(2-aminopyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide

N-[[4-[(2-aminopyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 86632758) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[[4-[(2-aminopyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[4-[(2-aminopyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide
PubChem CID86632758
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC NameN-[[4-[(2-aminopyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide
SMILESNc1nccc(OCc2ccc(CNC(=O)C(F)(F)F)cc2)n1
InChIInChI=1S/C14H13F3N4O2/c15-14(16,17)12(22)20-7-9-1-3-10(4-2-9)8-23-11-5-6-19-13(18)21-11/h1-6H,7-8H2,(H,20,22)(H2,18,19,21)
InChIKeyARKVMZJBXCQQOP-UHFFFAOYSA-N
XLogP1.82
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide
CID 86632760
N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide
CID 86657016
N-[[4-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]methyl]-3-methylbutanamide
CID 176786442
2,2,2-trifluoro-N-[(4-propylphenyl)methyl]acetamide
CID 115190239
[[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]methylamino] formate
CID 118941389
6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-N-[[4-[(2-aminopyrimidin-4-yl)oxymethyl]phenyl]methyl]hexanamide
CID 11960901
N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoroacetamide
CID 62489903
4-[[4-(2-ethylpentyl)phenyl]methoxy]pyrimidin-2-amine
CID 146212414
2,2,2-trifluoro-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 130158368
2,2,2-trifluoro-N-[(4-methylsulfonylphenyl)methyl]acetamide
CID 62728038
tert-butyl 4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzoate
CID 129218173
N-[[4-(2-adamantyl)phenyl]methyl]-2,2,2-trifluoroacetamide
CID 142441722

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-aminopyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[4-[(2-aminopyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide (CID 86632758) is N-[[4-[(2-aminopyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[4-[(2-aminopyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[4-[(2-aminopyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide is Nc1nccc(OCc2ccc(CNC(=O)C(F)(F)F)cc2)n1.
What is the InChIKey of N-[[4-[(2-aminopyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is ARKVMZJBXCQQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c15-14(16,17)12(22)20-7-9-1-3-10(4-2-9)8-23-11-5-6-19-13(18)21-11/h1-6H,7-8H2,(H,20,22)(H2,18,19,21).
What are the key properties of N-[[4-[(2-aminopyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide?
N-[[4-[(2-aminopyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 326.28 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-aminopyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 86632758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).