4-chloro-5-[(3-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidine

C13H10ClF3N2O — CID 132590511

IUPAC4-chloro-5-[(3-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidine
SMILESCOc1cccc(Cc2c(Cl)ncnc2C(F)(F)F)c1
InChIInChI=1S/C13H10ClF3N2O/c1-20-9-4-2-3-8(5-9)6-10-11(13(15,16)17)18-7-19-12(10)14/h2-5,7H,6H2,1H3
InChIKeyZFNFMPCTQUPHRZ-UHFFFAOYSA-N
MW302.68 g/mol
LogP3.75
Rot. Bonds3

About 4-chloro-5-[(3-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidine

4-chloro-5-[(3-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidine (PubChem CID 132590511) has the molecular formula C13H10ClF3N2O and a molecular weight of 302.68 g/mol. Its IUPAC name is 4-chloro-5-[(3-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-[(3-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidine
PubChem CID132590511
Molecular FormulaC13H10ClF3N2O
Molecular Weight302.68 g/mol
Exact Mass302.04
IUPAC Name4-chloro-5-[(3-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidine
SMILESCOc1cccc(Cc2c(Cl)ncnc2C(F)(F)F)c1
InChIInChI=1S/C13H10ClF3N2O/c1-20-9-4-2-3-8(5-9)6-10-11(13(15,16)17)18-7-19-12(10)14/h2-5,7H,6H2,1H3
InChIKeyZFNFMPCTQUPHRZ-UHFFFAOYSA-N
XLogP3.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidine
CID 87167555
1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene
CID 70661162
1-(4-chlorobutyl)-3-methoxybenzene
CID 10774359
5-chloro-4-(chloromethyl)-1-(3-methoxyphenyl)-3-(trifluoromethyl)pyrazole
CID 114798549
6-[(3-methoxyphenyl)methyl]pyrimidine-4-carbonitrile
CID 121206299
1-(3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214941
6-chloro-5-[(3-methoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
CID 67492155
4,6-dichloro-2-[(3-methoxyphenyl)methyl]-5-phenoxypyrimidine
CID 18938913
4-chloro-9-[(3-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrimido[4,5-b]indole
CID 118625590
2,5-bis[(3-methoxyphenyl)methyl]pyridine
CID 91067305
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
2-fluoro-2-[(3-methoxyphenyl)methyl]-3,3-dimethylbutan-1-amine
CID 112566569

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(3-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-5-[(3-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidine (CID 132590511) is 4-chloro-5-[(3-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-[(3-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-5-[(3-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidine is COc1cccc(Cc2c(Cl)ncnc2C(F)(F)F)c1.
What is the InChIKey of 4-chloro-5-[(3-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidine?
The InChIKey is ZFNFMPCTQUPHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O/c1-20-9-4-2-3-8(5-9)6-10-11(13(15,16)17)18-7-19-12(10)14/h2-5,7H,6H2,1H3.
What are the key properties of 4-chloro-5-[(3-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidine?
4-chloro-5-[(3-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidine has a molecular weight of 302.68 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(3-methoxyphenyl)methyl]-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 132590511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).