4-[(2,4-dichlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-phenylpyrimidine

C19H16Cl2N2OS — CID 1476710

IUPAC4-[(2,4-dichlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-phenylpyrimidine
SMILESCOCc1cc(SCc2ccc(Cl)cc2Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C19H16Cl2N2OS/c1-24-11-16-10-18(23-19(22-16)13-5-3-2-4-6-13)25-12-14-7-8-15(20)9-17(14)21/h2-10H,11-12H2,1H3
InChIKeyMKXWFALXVDJEOU-UHFFFAOYSA-N
MW391.32 g/mol
LogP5.89
Rot. Bonds6

About 4-[(2,4-dichlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-phenylpyrimidine

4-[(2,4-dichlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-phenylpyrimidine (PubChem CID 1476710) has the molecular formula C19H16Cl2N2OS and a molecular weight of 391.32 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-phenylpyrimidine
PubChem CID1476710
Molecular FormulaC19H16Cl2N2OS
Molecular Weight391.32 g/mol
Exact Mass390.04
IUPAC Name4-[(2,4-dichlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-phenylpyrimidine
SMILESCOCc1cc(SCc2ccc(Cl)cc2Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C19H16Cl2N2OS/c1-24-11-16-10-18(23-19(22-16)13-5-3-2-4-6-13)25-12-14-7-8-15(20)9-17(14)21/h2-10H,11-12H2,1H3
InChIKeyMKXWFALXVDJEOU-UHFFFAOYSA-N
XLogP5.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.32
LogP ≤ 55.89
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
{6-[(4-Chlorophenyl)sulfanyl]-2-phenyl-4-pyrimidinyl}methyl methyl ether
CID 1479483
4-[2-[(4-Chlorobenzyl)sulfanyl]-6-(methoxymethyl)-4-pyrimidinyl]morpholine
CID 3738221
{6-[(4-Chlorophenyl)sulfanyl]-2-methyl-4-pyrimidinyl}methyl methyl ether
CID 1476798
4-[(2,6-Dichlorophenyl)sulfanyl]-6-(methoxymethyl)-2-phenylpyrimidine
CID 1476689
Methyl (2-phenyl-6-{[3-(trifluoromethyl)benzyl]sulfanyl}-4-pyrimidinyl)methyl ether
CID 1479484
4-Chloro-6-(methoxymethyl)-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidine
CID 62319959
[2-[(4-Chlorobenzyl)sulfanyl]-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl methyl ether
CID 1476812
4-Chloro-2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidine
CID 2795317
[2-(4-Chlorophenyl)-6-methylsulfanylpyrimidin-4-yl]methanol
CID 89766911
2-(4-Chlorophenyl)-4-(methoxymethyl)-6-methylsulfanylpyrimidine
CID 89766974

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-phenylpyrimidine?
The IUPAC name of 4-[(2,4-dichlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-phenylpyrimidine (CID 1476710) is 4-[(2,4-dichlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-phenylpyrimidine?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-phenylpyrimidine is COCc1cc(SCc2ccc(Cl)cc2Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-phenylpyrimidine?
The InChIKey is MKXWFALXVDJEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2OS/c1-24-11-16-10-18(23-19(22-16)13-5-3-2-4-6-13)25-12-14-7-8-15(20)9-17(14)21/h2-10H,11-12H2,1H3.
What are the key properties of 4-[(2,4-dichlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-phenylpyrimidine?
4-[(2,4-dichlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-phenylpyrimidine has a molecular weight of 391.32 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-phenylpyrimidine is sourced from PubChem (CID 1476710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).