1-(4-methylphenyl)-4-phenylmethoxypyrimidine-2-thione

C18H16N2OS — CID 11580391

IUPAC1-(4-methylphenyl)-4-phenylmethoxypyrimidine-2-thione
SMILESCc1ccc(-n2ccc(OCc3ccccc3)nc2=S)cc1
InChIInChI=1S/C18H16N2OS/c1-14-7-9-16(10-8-14)20-12-11-17(19-18(20)22)21-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChIKeySRUHWIAFEJOUMR-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.49
Rot. Bonds4

About 1-(4-methylphenyl)-4-phenylmethoxypyrimidine-2-thione

1-(4-methylphenyl)-4-phenylmethoxypyrimidine-2-thione (PubChem CID 11580391) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-phenylmethoxypyrimidine-2-thione.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-phenylmethoxypyrimidine-2-thione
PubChem CID11580391
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name1-(4-methylphenyl)-4-phenylmethoxypyrimidine-2-thione
SMILESCc1ccc(-n2ccc(OCc3ccccc3)nc2=S)cc1
InChIInChI=1S/C18H16N2OS/c1-14-7-9-16(10-8-14)20-12-11-17(19-18(20)22)21-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChIKeySRUHWIAFEJOUMR-UHFFFAOYSA-N
XLogP4.49
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)pyrimidine-2-thione
CID 86108408
3-phenyl-5-phenylmethoxyimidazo[4,5-b]pyridine
CID 67312864
2,6-bis(phenylmethoxy)-3-(4-pyrrol-1-ylphenyl)pyridine
CID 175543369
2-[(4-methylphenyl)methoxy]-4-phenylmethoxypyridine
CID 67304946
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
4-(2-methyl-6-phenylmethoxy-3-pyridinyl)phenol
CID 170262262
(2-methyl-6-phenylmethoxy-3-pyridinyl)methanamine
CID 79885210
3,6-bis(phenylmethoxy)pyridazine
CID 68982842
3-methyl-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 2735500
2-methyl-5-phenylmethoxypyrazine
CID 129054090
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
3-benzyl-2-methyl-6-phenylmethoxypyrimidin-4-one;ethane
CID 91343480

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-phenylmethoxypyrimidine-2-thione?
The IUPAC name of 1-(4-methylphenyl)-4-phenylmethoxypyrimidine-2-thione (CID 11580391) is 1-(4-methylphenyl)-4-phenylmethoxypyrimidine-2-thione.
What is the SMILES notation for 1-(4-methylphenyl)-4-phenylmethoxypyrimidine-2-thione?
The canonical SMILES for 1-(4-methylphenyl)-4-phenylmethoxypyrimidine-2-thione is Cc1ccc(-n2ccc(OCc3ccccc3)nc2=S)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-phenylmethoxypyrimidine-2-thione?
The InChIKey is SRUHWIAFEJOUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-14-7-9-16(10-8-14)20-12-11-17(19-18(20)22)21-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3.
What are the key properties of 1-(4-methylphenyl)-4-phenylmethoxypyrimidine-2-thione?
1-(4-methylphenyl)-4-phenylmethoxypyrimidine-2-thione has a molecular weight of 308.41 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-phenylmethoxypyrimidine-2-thione is sourced from PubChem (CID 11580391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).