4-(methoxymethyl)-2-phenyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine

C20H17F3N2OS — CID 1479484

IUPAC4-(methoxymethyl)-2-phenyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine
SMILESCOCc1cc(SCc2cccc(C(F)(F)F)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H17F3N2OS/c1-26-12-17-11-18(25-19(24-17)15-7-3-2-4-8-15)27-13-14-6-5-9-16(10-14)20(21,22)23/h2-11H,12-13H2,1H3
InChIKeyHNTPIPIDOBXKQF-UHFFFAOYSA-N
MW390.43 g/mol
LogP5.60
Rot. Bonds6

About 4-(methoxymethyl)-2-phenyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine

4-(methoxymethyl)-2-phenyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine (PubChem CID 1479484) has the molecular formula C20H17F3N2OS and a molecular weight of 390.43 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-phenyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine.

Molecular Properties

Compound Name4-(methoxymethyl)-2-phenyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine
PubChem CID1479484
Molecular FormulaC20H17F3N2OS
Molecular Weight390.43 g/mol
Exact Mass390.10
IUPAC Name4-(methoxymethyl)-2-phenyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine
SMILESCOCc1cc(SCc2cccc(C(F)(F)F)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H17F3N2OS/c1-26-12-17-11-18(25-19(24-17)15-7-3-2-4-8-15)27-13-14-6-5-9-16(10-14)20(21,22)23/h2-11H,12-13H2,1H3
InChIKeyHNTPIPIDOBXKQF-UHFFFAOYSA-N
XLogP5.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.43
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,3-Dichlorophenyl)sulfanyl]-6-(methoxymethyl)-2-phenylpyrimidine
CID 1476688
4-[(2,4-Dichlorophenyl)sulfanyl]-6-(methoxymethyl)-2-phenylpyrimidine
CID 1476690
4-[(4-Bromophenyl)sulfanyl]-6-(methoxymethyl)-2-phenylpyrimidine
CID 1476691
{6-[(4-Chlorophenyl)sulfanyl]-2-phenyl-4-pyrimidinyl}methyl methyl ether
CID 1479483
4-[(2,6-Dichlorophenyl)sulfanyl]-6-(methoxymethyl)-2-phenylpyrimidine
CID 1476689
4-(Methoxymethyl)-6-[(4-methoxyphenyl)sulfanyl]-2-phenylpyrimidine
CID 1476709
6-Methyl-2-(2,2,2-trifluoroethoxymethyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydrothieno[2,3-d]pyrimidine
CID 89386264
4-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-2-methyl-6-(phenylmethoxymethyl)pyrimidine
CID 122475760
4-[2-[3,5-Bis(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(phenylmethoxymethyl)pyrimidine
CID 122475948
6-(Methoxymethyl)-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 62318940
6-(Methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-amine
CID 62319322
4-Chloro-6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidine
CID 62319959

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-phenyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine?
The IUPAC name of 4-(methoxymethyl)-2-phenyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine (CID 1479484) is 4-(methoxymethyl)-2-phenyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine.
What is the SMILES notation for 4-(methoxymethyl)-2-phenyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine?
The canonical SMILES for 4-(methoxymethyl)-2-phenyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine is COCc1cc(SCc2cccc(C(F)(F)F)c2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-(methoxymethyl)-2-phenyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine?
The InChIKey is HNTPIPIDOBXKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2OS/c1-26-12-17-11-18(25-19(24-17)15-7-3-2-4-8-15)27-13-14-6-5-9-16(10-14)20(21,22)23/h2-11H,12-13H2,1H3.
What are the key properties of 4-(methoxymethyl)-2-phenyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine?
4-(methoxymethyl)-2-phenyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine has a molecular weight of 390.43 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-phenyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine is sourced from PubChem (CID 1479484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).