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

C14H13F3N4O2 — CID 86657016

IUPACN-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide
SMILESNc1ccnc(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)8-23-13-19-6-5-11(18)21-13/h1-6H,7-8H2,(H,20,22)(H2,18,19,21)
InChIKeyRUBKULZVOFHCPA-UHFFFAOYSA-N
MW326.28 g/mol
LogP1.82
Rot. Bonds5

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

N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 86657016) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide
PubChem CID86657016
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC NameN-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide
SMILESNc1ccnc(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)8-23-13-19-6-5-11(18)21-13/h1-6H,7-8H2,(H,20,22)(H2,18,19,21)
InChIKeyRUBKULZVOFHCPA-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-aminopyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide
CID 86632758
N-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide
CID 86632760
2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]acetamide
CID 25007275
2-[(4-butylphenyl)methoxy]pyrimidin-4-amine
CID 142608819
3-[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]-1-(4-ethylphenyl)propan-1-one
CID 91226029
2,2,2-trifluoro-N-[(4-propylphenyl)methyl]acetamide
CID 115190239
[[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]methylamino] formate
CID 118941389
N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoroacetamide
CID 62489903
2-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 116798000
2,2,2-trifluoro-N-[[4-[1-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]methyl]acetamide
CID 75503881
2,2,2-trifluoro-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 130158368
2,2,2-trifluoro-N-[(4-methylsulfonylphenyl)methyl]acetamide
CID 62728038

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide (CID 86657016) is N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide is Nc1ccnc(OCc2ccc(CNC(=O)C(F)(F)F)cc2)n1.
What is the InChIKey of N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is RUBKULZVOFHCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c15-14(16,17)12(22)20-7-9-1-3-10(4-2-9)8-23-13-19-6-5-11(18)21-13/h1-6H,7-8H2,(H,20,22)(H2,18,19,21).
What are the key properties of N-[[4-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide?
N-[[4-[(4-aminopyrimidin-2-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-[(4-aminopyrimidin-2-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 86657016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).