4-bromo-2-methylsulfanyl-6-phenylmethoxypyrimidine

C12H11BrN2OS — CID 19690807

IUPAC4-bromo-2-methylsulfanyl-6-phenylmethoxypyrimidine
SMILESCSc1nc(Br)cc(OCc2ccccc2)n1
InChIInChI=1S/C12H11BrN2OS/c1-17-12-14-10(13)7-11(15-12)16-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyHUXFYGKPRZUFED-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.54
Rot. Bonds4

About 4-bromo-2-methylsulfanyl-6-phenylmethoxypyrimidine

4-bromo-2-methylsulfanyl-6-phenylmethoxypyrimidine (PubChem CID 19690807) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is 4-bromo-2-methylsulfanyl-6-phenylmethoxypyrimidine.

Molecular Properties

Compound Name4-bromo-2-methylsulfanyl-6-phenylmethoxypyrimidine
PubChem CID19690807
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name4-bromo-2-methylsulfanyl-6-phenylmethoxypyrimidine
SMILESCSc1nc(Br)cc(OCc2ccccc2)n1
InChIInChI=1S/C12H11BrN2OS/c1-17-12-14-10(13)7-11(15-12)16-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyHUXFYGKPRZUFED-UHFFFAOYSA-N
XLogP3.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-methoxy-6-phenylmethoxypyridine
CID 21471070
2-methylsulfanyl-6-phenylmethoxy-N-propylpyrimidin-4-amine
CID 80858727
2-methylsulfanyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 68823165
4-[(2-bromophenyl)methoxy]-6-chloro-2-methylsulfanylpyrimidine
CID 82824209
2-bromo-5-phenylmethoxypyrazine
CID 46738200
4-chloro-6-[(2-chlorophenyl)methoxy]-2-methylsulfanylpyrimidine
CID 80544536
4,6-dimethoxy-2-phenylmethoxypyrimidine
CID 19977712
2-methylsulfanyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine;2-methylsulfonyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 157282875
3,6-bis(phenylmethoxy)pyridazine
CID 68982842
N-(6-phenylmethoxy-2-propylsulfanylpyrimidin-4-yl)acetamide
CID 24768444
2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine
CID 95922321
2-(5-bromothiophen-2-yl)-6-phenylmethoxypyridine
CID 58657247

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methylsulfanyl-6-phenylmethoxypyrimidine?
The IUPAC name of 4-bromo-2-methylsulfanyl-6-phenylmethoxypyrimidine (CID 19690807) is 4-bromo-2-methylsulfanyl-6-phenylmethoxypyrimidine.
What is the SMILES notation for 4-bromo-2-methylsulfanyl-6-phenylmethoxypyrimidine?
The canonical SMILES for 4-bromo-2-methylsulfanyl-6-phenylmethoxypyrimidine is CSc1nc(Br)cc(OCc2ccccc2)n1.
What is the InChIKey of 4-bromo-2-methylsulfanyl-6-phenylmethoxypyrimidine?
The InChIKey is HUXFYGKPRZUFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c1-17-12-14-10(13)7-11(15-12)16-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3.
What are the key properties of 4-bromo-2-methylsulfanyl-6-phenylmethoxypyrimidine?
4-bromo-2-methylsulfanyl-6-phenylmethoxypyrimidine has a molecular weight of 311.20 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methylsulfanyl-6-phenylmethoxypyrimidine is sourced from PubChem (CID 19690807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).