5-benzyl-4-chloro-2-(ethylsulfanylmethyl)-6-methylpyrimidine

C15H17ClN2S — CID 82168960

IUPAC5-benzyl-4-chloro-2-(ethylsulfanylmethyl)-6-methylpyrimidine
SMILESCCSCc1nc(C)c(Cc2ccccc2)c(Cl)n1
InChIInChI=1S/C15H17ClN2S/c1-3-19-10-14-17-11(2)13(15(16)18-14)9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3
InChIKeyQJYJZHKTLYOTCT-UHFFFAOYSA-N
MW292.84 g/mol
LogP4.28
Rot. Bonds5

About 5-benzyl-4-chloro-2-(ethylsulfanylmethyl)-6-methylpyrimidine

5-benzyl-4-chloro-2-(ethylsulfanylmethyl)-6-methylpyrimidine (PubChem CID 82168960) has the molecular formula C15H17ClN2S and a molecular weight of 292.84 g/mol. Its IUPAC name is 5-benzyl-4-chloro-2-(ethylsulfanylmethyl)-6-methylpyrimidine.

Molecular Properties

Compound Name5-benzyl-4-chloro-2-(ethylsulfanylmethyl)-6-methylpyrimidine
PubChem CID82168960
Molecular FormulaC15H17ClN2S
Molecular Weight292.84 g/mol
Exact Mass292.08
IUPAC Name5-benzyl-4-chloro-2-(ethylsulfanylmethyl)-6-methylpyrimidine
SMILESCCSCc1nc(C)c(Cc2ccccc2)c(Cl)n1
InChIInChI=1S/C15H17ClN2S/c1-3-19-10-14-17-11(2)13(15(16)18-14)9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3
InChIKeyQJYJZHKTLYOTCT-UHFFFAOYSA-N
XLogP4.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.84
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(ethylsulfanylmethyl)-6-methyl-5-[(2-methylphenyl)methyl]pyrimidine
CID 82168974
4-chloro-6-methyl-5-[(4-methylphenyl)methyl]-2-(methylsulfanylmethyl)pyrimidine
CID 82169000
4-chloro-5-[(3-chlorophenyl)methyl]-2,6-dimethylpyrimidine
CID 82169007
2-benzyl-4-chloro-5-fluoro-6-methylpyrimidine
CID 66000630
4-chloro-2-[(4-chlorophenyl)methyl]-5-ethyl-6-methylpyrimidine
CID 54898228
(2-benzyl-4,6-dimethylpyrimidin-5-yl)methanamine
CID 28916465
5-benzyl-4-chloro-2-methylpyrimidine
CID 117260664
4-chloro-5-ethyl-6-methyl-2-(pyridin-2-ylmethyl)pyrimidine
CID 54898230
5-benzyl-2-benzylsulfanyl-6-methylpyrimidin-4-olate
CID 3840566
2-(ethylsulfanylmethyl)-4,5-dimethylpyrimidine
CID 151683415
4,6-dichloro-2-[(3-chlorophenyl)methyl]-5-ethylpyrimidine
CID 63611300
5-benzyl-6-chloropyrimidine-2,4-diamine
CID 45071766

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-chloro-2-(ethylsulfanylmethyl)-6-methylpyrimidine?
The IUPAC name of 5-benzyl-4-chloro-2-(ethylsulfanylmethyl)-6-methylpyrimidine (CID 82168960) is 5-benzyl-4-chloro-2-(ethylsulfanylmethyl)-6-methylpyrimidine.
What is the SMILES notation for 5-benzyl-4-chloro-2-(ethylsulfanylmethyl)-6-methylpyrimidine?
The canonical SMILES for 5-benzyl-4-chloro-2-(ethylsulfanylmethyl)-6-methylpyrimidine is CCSCc1nc(C)c(Cc2ccccc2)c(Cl)n1.
What is the InChIKey of 5-benzyl-4-chloro-2-(ethylsulfanylmethyl)-6-methylpyrimidine?
The InChIKey is QJYJZHKTLYOTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c1-3-19-10-14-17-11(2)13(15(16)18-14)9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3.
What are the key properties of 5-benzyl-4-chloro-2-(ethylsulfanylmethyl)-6-methylpyrimidine?
5-benzyl-4-chloro-2-(ethylsulfanylmethyl)-6-methylpyrimidine has a molecular weight of 292.84 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-chloro-2-(ethylsulfanylmethyl)-6-methylpyrimidine is sourced from PubChem (CID 82168960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).