4-(2,6-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine

C18H14Cl2N2OS — CID 1476689

IUPAC4-(2,6-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine
SMILESCOCc1cc(Sc2c(Cl)cccc2Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C18H14Cl2N2OS/c1-23-11-13-10-16(24-17-14(19)8-5-9-15(17)20)22-18(21-13)12-6-3-2-4-7-12/h2-10H,11H2,1H3
InChIKeySUVOXGWYLYOWHY-UHFFFAOYSA-N
MW377.30 g/mol
LogP5.75
Rot. Bonds5

About 4-(2,6-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine

4-(2,6-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine (PubChem CID 1476689) has the molecular formula C18H14Cl2N2OS and a molecular weight of 377.30 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine
PubChem CID1476689
Molecular FormulaC18H14Cl2N2OS
Molecular Weight377.30 g/mol
Exact Mass376.02
IUPAC Name4-(2,6-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine
SMILESCOCc1cc(Sc2c(Cl)cccc2Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C18H14Cl2N2OS/c1-23-11-13-10-16(24-17-14(19)8-5-9-15(17)20)22-18(21-13)12-6-3-2-4-7-12/h2-10H,11H2,1H3
InChIKeySUVOXGWYLYOWHY-UHFFFAOYSA-N
XLogP5.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.30
LogP ≤ 55.75
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
{6-[(4-Chlorophenyl)sulfanyl]-2-methyl-4-pyrimidinyl}methyl methyl ether
CID 1476798
4-Chloro-6-(methoxymethyl)-2-phenylpyrimidine
CID 2763927
4-(4-Chlorophenyl)sulfinyl-6-(methoxymethyl)-2-methylpyrimidine
CID 1476806
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
4-[(2,4-Dichlorobenzyl)sulfanyl]-6-(methoxymethyl)-2-phenylpyrimidine
CID 1476710
4-Chloro-2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidine
CID 2795317
4-Chloro-6-methoxymethyl-2-p-tolyl-pyrimidine
CID 57431702

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine?
The IUPAC name of 4-(2,6-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine (CID 1476689) is 4-(2,6-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-(2,6-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine?
The canonical SMILES for 4-(2,6-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine is COCc1cc(Sc2c(Cl)cccc2Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 4-(2,6-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine?
The InChIKey is SUVOXGWYLYOWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2OS/c1-23-11-13-10-16(24-17-14(19)8-5-9-15(17)20)22-18(21-13)12-6-3-2-4-7-12/h2-10H,11H2,1H3.
What are the key properties of 4-(2,6-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine?
4-(2,6-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine has a molecular weight of 377.30 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine is sourced from PubChem (CID 1476689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).