4,6-dichloro-2-[(3-fluorophenyl)sulfanylmethyl]-5-methylpyrimidine

C12H9Cl2FN2S — CID 66073080

IUPAC4,6-dichloro-2-[(3-fluorophenyl)sulfanylmethyl]-5-methylpyrimidine
SMILESCc1c(Cl)nc(CSc2cccc(F)c2)nc1Cl
InChIInChI=1S/C12H9Cl2FN2S/c1-7-11(13)16-10(17-12(7)14)6-18-9-4-2-3-8(15)5-9/h2-5H,6H2,1H3
InChIKeyMIZLSABQGQJWHQ-UHFFFAOYSA-N
MW303.19 g/mol
LogP4.52
Rot. Bonds3

About 4,6-dichloro-2-[(3-fluorophenyl)sulfanylmethyl]-5-methylpyrimidine

4,6-dichloro-2-[(3-fluorophenyl)sulfanylmethyl]-5-methylpyrimidine (PubChem CID 66073080) has the molecular formula C12H9Cl2FN2S and a molecular weight of 303.19 g/mol. Its IUPAC name is 4,6-dichloro-2-[(3-fluorophenyl)sulfanylmethyl]-5-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[(3-fluorophenyl)sulfanylmethyl]-5-methylpyrimidine
PubChem CID66073080
Molecular FormulaC12H9Cl2FN2S
Molecular Weight303.19 g/mol
Exact Mass301.98
IUPAC Name4,6-dichloro-2-[(3-fluorophenyl)sulfanylmethyl]-5-methylpyrimidine
SMILESCc1c(Cl)nc(CSc2cccc(F)c2)nc1Cl
InChIInChI=1S/C12H9Cl2FN2S/c1-7-11(13)16-10(17-12(7)14)6-18-9-4-2-3-8(15)5-9/h2-5H,6H2,1H3
InChIKeyMIZLSABQGQJWHQ-UHFFFAOYSA-N
XLogP4.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-6-chloro-2-[(3-fluorophenyl)sulfanylmethyl]-5-iodopyrimidine
CID 66295033
4,6-dichloro-5-fluoro-2-[(3-methylphenyl)sulfanylmethyl]pyrimidine
CID 80550367
1-[2-[(3-fluorophenyl)sulfanylmethyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 66071908
N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]-5,6-dimethylpyrimidin-4-amine
CID 66070669
4,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]-5-fluoropyrimidine
CID 80550233
2-[(3-fluorophenyl)sulfanylmethyl]-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 66070670
2-[(3-bromophenyl)sulfanylmethyl]-4-chloro-5-fluoro-6-methylpyrimidine
CID 66143933
6-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66072317
2-[(3-bromophenyl)sulfanylmethyl]-4,6-dichloro-5-fluoropyrimidine
CID 80550465
2-[(3-fluorophenyl)sulfanylmethyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740167
2-[(3-fluorophenyl)sulfanylmethyl]-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 66071084
1-chloro-4-[(3-fluorophenyl)sulfanylmethyl]benzene
CID 91657412

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(3-fluorophenyl)sulfanylmethyl]-5-methylpyrimidine?
The IUPAC name of 4,6-dichloro-2-[(3-fluorophenyl)sulfanylmethyl]-5-methylpyrimidine (CID 66073080) is 4,6-dichloro-2-[(3-fluorophenyl)sulfanylmethyl]-5-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[(3-fluorophenyl)sulfanylmethyl]-5-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-[(3-fluorophenyl)sulfanylmethyl]-5-methylpyrimidine is Cc1c(Cl)nc(CSc2cccc(F)c2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-[(3-fluorophenyl)sulfanylmethyl]-5-methylpyrimidine?
The InChIKey is MIZLSABQGQJWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2S/c1-7-11(13)16-10(17-12(7)14)6-18-9-4-2-3-8(15)5-9/h2-5H,6H2,1H3.
What are the key properties of 4,6-dichloro-2-[(3-fluorophenyl)sulfanylmethyl]-5-methylpyrimidine?
4,6-dichloro-2-[(3-fluorophenyl)sulfanylmethyl]-5-methylpyrimidine has a molecular weight of 303.19 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[(3-fluorophenyl)sulfanylmethyl]-5-methylpyrimidine is sourced from PubChem (CID 66073080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).