N-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide

C14H12ClF3N4O2 — CID 86632760

IUPACN-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide
SMILESNc1nc(Cl)cc(OCc2ccc(CNC(=O)C(F)(F)F)cc2)n1
InChIInChI=1S/C14H12ClF3N4O2/c15-10-5-11(22-13(19)21-10)24-7-9-3-1-8(2-4-9)6-20-12(23)14(16,17)18/h1-5H,6-7H2,(H,20,23)(H2,19,21,22)
InChIKeyRMPKTHPYYXITGW-UHFFFAOYSA-N
MW360.72 g/mol
LogP2.47
Rot. Bonds5

About N-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide

N-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 86632760) has the molecular formula C14H12ClF3N4O2 and a molecular weight of 360.72 g/mol. Its IUPAC name is N-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide
PubChem CID86632760
Molecular FormulaC14H12ClF3N4O2
Molecular Weight360.72 g/mol
Exact Mass360.06
IUPAC NameN-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide
SMILESNc1nc(Cl)cc(OCc2ccc(CNC(=O)C(F)(F)F)cc2)n1
InChIInChI=1S/C14H12ClF3N4O2/c15-10-5-11(22-13(19)21-10)24-7-9-3-1-8(2-4-9)6-20-12(23)14(16,17)18/h1-5H,6-7H2,(H,20,23)(H2,19,21,22)
InChIKeyRMPKTHPYYXITGW-UHFFFAOYSA-N
XLogP2.47
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.72
LogP ≤ 52.47
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-[(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
4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 22104151
4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine
CID 80740138
tert-butyl 4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzoate
CID 129218173
4-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]benzoic acid
CID 18388121
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
3-amino-1,1,1-trifluoro-3-[4-[(2,5,6-triaminopyrimidin-4-yl)oxymethyl]phenyl]propan-2-one
CID 67275824
2,2,2-trifluoro-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 130158368

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide (CID 86632760) is N-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide is Nc1nc(Cl)cc(OCc2ccc(CNC(=O)C(F)(F)F)cc2)n1.
What is the InChIKey of N-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is RMPKTHPYYXITGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N4O2/c15-10-5-11(22-13(19)21-10)24-7-9-3-1-8(2-4-9)6-20-12(23)14(16,17)18/h1-5H,6-7H2,(H,20,23)(H2,19,21,22).
What are the key properties of N-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide?
N-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 360.72 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]phenyl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 86632760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).