4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine

C18H16ClN3OS — CID 134115583

IUPAC4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine
SMILESCOCc1cc(SCc2ccc(Cl)cc2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H16ClN3OS/c1-23-11-15-10-17(24-12-13-5-7-14(19)8-6-13)22-18(21-15)16-4-2-3-9-20-16/h2-10H,11-12H2,1H3
InChIKeyMOLOSSIBUGQJHN-UHFFFAOYSA-N
MW357.87 g/mol
LogP4.63
Rot. Bonds6

About 4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine

4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine (PubChem CID 134115583) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine
PubChem CID134115583
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine
SMILESCOCc1cc(SCc2ccc(Cl)cc2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H16ClN3OS/c1-23-11-15-10-17(24-12-13-5-7-14(19)8-6-13)22-18(21-15)16-4-2-3-9-20-16/h2-10H,11-12H2,1H3
InChIKeyMOLOSSIBUGQJHN-UHFFFAOYSA-N
XLogP4.63
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine
CID 62319942
ethyl 2-[6-[(4-chlorophenyl)sulfinylmethyl]-2-pyridin-2-ylpyrimidin-4-yl]sulfanylacetate
CID 1471788
4-[(3,4-difluorophenyl)methylsulfanyl]-2-methyl-6-pyridin-2-ylpyrimidine
CID 95921622
4-[(2-methoxyphenyl)methylsulfanyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
CID 133311585
4-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanylmethyl]thiadiazole
CID 146149095
5-[(4-chlorophenyl)methylsulfanyl]-3-pyridin-2-yl-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazine
CID 22118855
2-[(4-chlorophenyl)methylsulfanylmethyl]pyridine
CID 78836425
5-(methoxymethyl)-2-pyridin-2-ylpyridine
CID 58454942
4-[(4-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-2-amine
CID 113221003
6-(2-aminoethyl)-N,N-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 51598656
4,6-dichloro-5-(4-chlorophenyl)-2-pyridin-2-ylpyrimidine
CID 79432804
3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
CID 7207331

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine (CID 134115583) is 4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine is COCc1cc(SCc2ccc(Cl)cc2)nc(-c2ccccn2)n1.
What is the InChIKey of 4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine?
The InChIKey is MOLOSSIBUGQJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c1-23-11-15-10-17(24-12-13-5-7-14(19)8-6-13)22-18(21-15)16-4-2-3-9-20-16/h2-10H,11-12H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine?
4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine has a molecular weight of 357.87 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 134115583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).