4-(4-fluorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine

C16H12FN3OS — CID 1487221

IUPAC4-(4-fluorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Sc1ccc(F)cc1
InChIInChI=1S/C16H12FN3OS/c1-21-14-10-19-15(13-4-2-3-9-18-13)20-16(14)22-12-7-5-11(17)6-8-12/h2-10H,1H3
InChIKeyMFUCBYRUQFMVJU-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.84
Rot. Bonds4

About 4-(4-fluorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine

4-(4-fluorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine (PubChem CID 1487221) has the molecular formula C16H12FN3OS and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine
PubChem CID1487221
Molecular FormulaC16H12FN3OS
Molecular Weight313.36 g/mol
Exact Mass313.07
IUPAC Name4-(4-fluorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Sc1ccc(F)cc1
InChIInChI=1S/C16H12FN3OS/c1-21-14-10-19-15(13-4-2-3-9-18-13)20-16(14)22-12-7-5-11(17)6-8-12/h2-10H,1H3
InChIKeyMFUCBYRUQFMVJU-UHFFFAOYSA-N
XLogP3.84
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-N-methyl-N-phenyl-2-(2-pyridinyl)-4-pyrimidinamine
CID 1470719
4-(Phenylsulfanyl)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 1473292
4-[(2,6-Dichlorophenyl)thio]-5-methoxy-2-(2-pyridinyl)pyrimidine
CID 1470823
Methyl 4-[(4-methylphenyl)sulfanyl]-2-(2-pyridinyl)-5-pyrimidinyl ether
CID 1470825
4-[(4-Chlorophenyl)sulfanyl]-2-(2-pyridinyl)-5-pyrimidinyl methyl ether
CID 1487214
5-Methoxy-4-[(4-methoxyphenyl)sulfanyl]-2-(2-pyridinyl)pyrimidine
CID 1487220
Methyl 4-(phenylsulfanyl)-2-(2-pyridinyl)-5-pyrimidinyl ether
CID 1487222
5-Methoxy-2-phenyl-4-(phenylsulfanyl)pyrimidine
CID 1491526
4-(3,4-Difluorophenylthio)-2-(pyridin-2-yl)pyrimidine
CID 11370077
Ethyl 2-((5-methoxy-2-(2-pyridinyl)-4-pyrimidinyl)sulfanyl)acetate
CID 1470716
5-Methoxy-4-(2-methoxyphenyl)sulfanyl-2-pyridin-2-ylpyrimidine
CID 1470741
4-(Benzylsulfanyl)-2-(2-pyridinyl)-5-pyrimidinyl methyl ether
CID 3715295

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-(4-fluorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine (CID 1487221) is 4-(4-fluorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine is COc1cnc(-c2ccccn2)nc1Sc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine?
The InChIKey is MFUCBYRUQFMVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3OS/c1-21-14-10-19-15(13-4-2-3-9-18-13)20-16(14)22-12-7-5-11(17)6-8-12/h2-10H,1H3.
What are the key properties of 4-(4-fluorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine?
4-(4-fluorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine has a molecular weight of 313.36 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfanyl-5-methoxy-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 1487221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).