4-(methoxymethyl)-6-[(4-methylphenyl)methylsulfanyl]-2-phenylpyrimidine

C20H20N2OS — CID 1476711

IUPAC4-(methoxymethyl)-6-[(4-methylphenyl)methylsulfanyl]-2-phenylpyrimidine
SMILESCOCc1cc(SCc2ccc(C)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H20N2OS/c1-15-8-10-16(11-9-15)14-24-19-12-18(13-23-2)21-20(22-19)17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3
InChIKeyWQSQWPWENDNUIB-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.89
Rot. Bonds6

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

4-(methoxymethyl)-6-[(4-methylphenyl)methylsulfanyl]-2-phenylpyrimidine (PubChem CID 1476711) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-[(4-methylphenyl)methylsulfanyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(methoxymethyl)-6-[(4-methylphenyl)methylsulfanyl]-2-phenylpyrimidine
PubChem CID1476711
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name4-(methoxymethyl)-6-[(4-methylphenyl)methylsulfanyl]-2-phenylpyrimidine
SMILESCOCc1cc(SCc2ccc(C)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H20N2OS/c1-15-8-10-16(11-9-15)14-24-19-12-18(13-23-2)21-20(22-19)17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3
InChIKeyWQSQWPWENDNUIB-UHFFFAOYSA-N
XLogP4.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-6-[(4-methylphenyl)methylsulfanyl]-2-phenylpyrimidine?
The IUPAC name of 4-(methoxymethyl)-6-[(4-methylphenyl)methylsulfanyl]-2-phenylpyrimidine (CID 1476711) is 4-(methoxymethyl)-6-[(4-methylphenyl)methylsulfanyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-(methoxymethyl)-6-[(4-methylphenyl)methylsulfanyl]-2-phenylpyrimidine?
The canonical SMILES for 4-(methoxymethyl)-6-[(4-methylphenyl)methylsulfanyl]-2-phenylpyrimidine is COCc1cc(SCc2ccc(C)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-(methoxymethyl)-6-[(4-methylphenyl)methylsulfanyl]-2-phenylpyrimidine?
The InChIKey is WQSQWPWENDNUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-15-8-10-16(11-9-15)14-24-19-12-18(13-23-2)21-20(22-19)17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-6-[(4-methylphenyl)methylsulfanyl]-2-phenylpyrimidine?
4-(methoxymethyl)-6-[(4-methylphenyl)methylsulfanyl]-2-phenylpyrimidine has a molecular weight of 336.46 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-[(4-methylphenyl)methylsulfanyl]-2-phenylpyrimidine is sourced from PubChem (CID 1476711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).