4-chloro-2-phenylmethoxy-5-(trifluoromethyl)pyrimidine

C12H8ClF3N2O — CID 118498172

IUPAC4-chloro-2-phenylmethoxy-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cnc(OCc2ccccc2)nc1Cl
InChIInChI=1S/C12H8ClF3N2O/c13-10-9(12(14,15)16)6-17-11(18-10)19-7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyLLPSANOSMMEMPB-UHFFFAOYSA-N
MW288.66 g/mol
LogP3.73
Rot. Bonds3

About 4-chloro-2-phenylmethoxy-5-(trifluoromethyl)pyrimidine

4-chloro-2-phenylmethoxy-5-(trifluoromethyl)pyrimidine (PubChem CID 118498172) has the molecular formula C12H8ClF3N2O and a molecular weight of 288.66 g/mol. Its IUPAC name is 4-chloro-2-phenylmethoxy-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-phenylmethoxy-5-(trifluoromethyl)pyrimidine
PubChem CID118498172
Molecular FormulaC12H8ClF3N2O
Molecular Weight288.66 g/mol
Exact Mass288.03
IUPAC Name4-chloro-2-phenylmethoxy-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cnc(OCc2ccccc2)nc1Cl
InChIInChI=1S/C12H8ClF3N2O/c13-10-9(12(14,15)16)6-17-11(18-10)19-7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyLLPSANOSMMEMPB-UHFFFAOYSA-N
XLogP3.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.66
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-{[(4-Chlorobenzyl)oxy]amino}-5-pyrimidinecarbonitrile
CID 1482942
2-(Benzyloxy)-5-bromopyrimidine
CID 42553055
4-Chloro-5-nitro-2-phenylmethoxypyrimidine
CID 145967916
2-(Phenylmethoxy)-4-pyrimidinamine
CID 308510
benzyl N-pyrimidin-2-ylcarbamate
CID 85733538
2-Chloro-4-benzyloxy-5-fluoropyrimidine
CID 12864088
4-(Benzyloxy)-2-chloropyrimidine
CID 15133237
2-[(4-Fluorophenyl)methoxy]pyrimidin-4-amine
CID 123194935
2-[(4-Fluorophenyl)methoxy]pyrimidine
CID 126953834
2-Phenylmethoxy-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 140282355
2-Chloro-4-[(2-fluorophenyl)methoxy]pyrimidine
CID 63937747
5-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,4-bis(phenylmethoxy)pyrimidine
CID 11991501

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenylmethoxy-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-2-phenylmethoxy-5-(trifluoromethyl)pyrimidine (CID 118498172) is 4-chloro-2-phenylmethoxy-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-phenylmethoxy-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-phenylmethoxy-5-(trifluoromethyl)pyrimidine is FC(F)(F)c1cnc(OCc2ccccc2)nc1Cl.
What is the InChIKey of 4-chloro-2-phenylmethoxy-5-(trifluoromethyl)pyrimidine?
The InChIKey is LLPSANOSMMEMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O/c13-10-9(12(14,15)16)6-17-11(18-10)19-7-8-4-2-1-3-5-8/h1-6H,7H2.
What are the key properties of 4-chloro-2-phenylmethoxy-5-(trifluoromethyl)pyrimidine?
4-chloro-2-phenylmethoxy-5-(trifluoromethyl)pyrimidine has a molecular weight of 288.66 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenylmethoxy-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 118498172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).