4-chloro-2-ethyl-5-methyl-6-(oxan-4-ylsulfanyl)pyrimidine

C12H17ClN2OS — CID 80978357

IUPAC4-chloro-2-ethyl-5-methyl-6-(oxan-4-ylsulfanyl)pyrimidine
SMILESCCc1nc(Cl)c(C)c(SC2CCOCC2)n1
InChIInChI=1S/C12H17ClN2OS/c1-3-10-14-11(13)8(2)12(15-10)17-9-4-6-16-7-5-9/h9H,3-7H2,1-2H3
InChIKeyGEXSIPFLDNMLKL-UHFFFAOYSA-N
MW272.80 g/mol
LogP3.27
Rot. Bonds3

About 4-chloro-2-ethyl-5-methyl-6-(oxan-4-ylsulfanyl)pyrimidine

4-chloro-2-ethyl-5-methyl-6-(oxan-4-ylsulfanyl)pyrimidine (PubChem CID 80978357) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-methyl-6-(oxan-4-ylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-methyl-6-(oxan-4-ylsulfanyl)pyrimidine
PubChem CID80978357
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name4-chloro-2-ethyl-5-methyl-6-(oxan-4-ylsulfanyl)pyrimidine
SMILESCCc1nc(Cl)c(C)c(SC2CCOCC2)n1
InChIInChI=1S/C12H17ClN2OS/c1-3-10-14-11(13)8(2)12(15-10)17-9-4-6-16-7-5-9/h9H,3-7H2,1-2H3
InChIKeyGEXSIPFLDNMLKL-UHFFFAOYSA-N
XLogP3.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-ethyl-5-methyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidine
CID 107751016
6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 79557190
4-chloro-2-ethyl-6-fluoro-5-methylpyrimidine
CID 143740717
4-chloro-2-ethyl-5,6-dimethylpyrimidine
CID 21039945
[5-methyl-6-(oxan-4-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001666
6-chloro-2-ethyl-N-[(4-ethylcyclohexyl)methyl]-5-methylpyrimidin-4-amine
CID 80971890
6-chloro-2-ethyl-5-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80972098
5-bromo-2-chloro-4-(oxan-4-ylsulfanyl)pyrimidine
CID 79073525
4-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 114148545
6-ethyl-4-(oxan-4-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 103334914
6-chloro-2-ethyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 80970027
6-chloro-N,2-diethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 80971304

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-methyl-6-(oxan-4-ylsulfanyl)pyrimidine?
The IUPAC name of 4-chloro-2-ethyl-5-methyl-6-(oxan-4-ylsulfanyl)pyrimidine (CID 80978357) is 4-chloro-2-ethyl-5-methyl-6-(oxan-4-ylsulfanyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-5-methyl-6-(oxan-4-ylsulfanyl)pyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-5-methyl-6-(oxan-4-ylsulfanyl)pyrimidine is CCc1nc(Cl)c(C)c(SC2CCOCC2)n1.
What is the InChIKey of 4-chloro-2-ethyl-5-methyl-6-(oxan-4-ylsulfanyl)pyrimidine?
The InChIKey is GEXSIPFLDNMLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-3-10-14-11(13)8(2)12(15-10)17-9-4-6-16-7-5-9/h9H,3-7H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-5-methyl-6-(oxan-4-ylsulfanyl)pyrimidine?
4-chloro-2-ethyl-5-methyl-6-(oxan-4-ylsulfanyl)pyrimidine has a molecular weight of 272.80 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-methyl-6-(oxan-4-ylsulfanyl)pyrimidine is sourced from PubChem (CID 80978357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).