2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine

C19H18N2OS — CID 27042561

IUPAC2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine
SMILESCOc1ccc(CSc2nc(C)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H18N2OS/c1-14-12-18(16-6-4-3-5-7-16)21-19(20-14)23-13-15-8-10-17(22-2)11-9-15/h3-12H,13H2,1-2H3
InChIKeyNYFNRWYBTHZGSY-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.75
Rot. Bonds5

About 2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine

2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine (PubChem CID 27042561) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine
PubChem CID27042561
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine
SMILESCOc1ccc(CSc2nc(C)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H18N2OS/c1-14-12-18(16-6-4-3-5-7-16)21-19(20-14)23-13-15-8-10-17(22-2)11-9-15/h3-12H,13H2,1-2H3
InChIKeyNYFNRWYBTHZGSY-UHFFFAOYSA-N
XLogP4.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine
CID 3668980
2-benzylsulfanyl-4,6-dimethylpyrimidine
CID 716895
2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-6-phenylpyrimidine
CID 162640165
2-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 6457752
2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-N-phenylacetamide
CID 1180873
2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyridine-3-carbonitrile
CID 1475700
2-benzylsulfanyl-4-phenoxy-6-phenylpyrimidine
CID 42845948
5-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
CID 8731229
2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-2-phenylacetic acid
CID 3070920
2-benzylsulfanyl-4-chloro-6-phenylpyrimidine
CID 16642955
4,6-dimethyl-2-[(4-propan-2-yloxyphenyl)methylsulfanyl]pyrimidine
CID 4620761
2-(4-methoxyphenyl)-6-methyl-4-phenylpyridine
CID 10333611

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine?
The IUPAC name of 2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine (CID 27042561) is 2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine?
The canonical SMILES for 2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine is COc1ccc(CSc2nc(C)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine?
The InChIKey is NYFNRWYBTHZGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-14-12-18(16-6-4-3-5-7-16)21-19(20-14)23-13-15-8-10-17(22-2)11-9-15/h3-12H,13H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine?
2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine has a molecular weight of 322.43 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine is sourced from PubChem (CID 27042561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).