4-chloro-2-ethyl-5-methyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidine

C12H17ClN2OS — CID 107751016

IUPAC4-chloro-2-ethyl-5-methyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidine
SMILESCCc1nc(Cl)c(C)c(SC2CCOC2C)n1
InChIInChI=1S/C12H17ClN2OS/c1-4-10-14-11(13)7(2)12(15-10)17-9-5-6-16-8(9)3/h8-9H,4-6H2,1-3H3
InChIKeyTWQFZJZEBQVLGI-UHFFFAOYSA-N
MW272.80 g/mol
LogP3.27
Rot. Bonds3

About 4-chloro-2-ethyl-5-methyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidine

4-chloro-2-ethyl-5-methyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidine (PubChem CID 107751016) 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-(2-methyloxolan-3-yl)sulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-methyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidine
PubChem CID107751016
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name4-chloro-2-ethyl-5-methyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidine
SMILESCCc1nc(Cl)c(C)c(SC2CCOC2C)n1
InChIInChI=1S/C12H17ClN2OS/c1-4-10-14-11(13)7(2)12(15-10)17-9-5-6-16-8(9)3/h8-9H,4-6H2,1-3H3
InChIKeyTWQFZJZEBQVLGI-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-(oxan-4-ylsulfanyl)pyrimidine
CID 80978357
2,3,5-trichloro-6-(2-methyloxolan-3-yl)sulfanylpyridine
CID 107750991
2-cyclopropyl-N,5-dimethyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine
CID 107765069
4-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 114148545
5-ethyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine
CID 107765165
4-chloro-2-ethyl-6-fluoro-5-methylpyrimidine
CID 143740717
[4,6-dimethyl-2-(2-methyloxolan-3-yl)sulfanyl-3-pyridinyl]methanamine
CID 107751923
5-ethyl-N-methyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine
CID 107765189
4-chloro-2-ethyl-5,6-dimethylpyrimidine
CID 21039945
6-chloro-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 79557190
6-chloro-2-ethyl-5-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80972098
2-ethyl-6-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
CID 82736034

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-methyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidine?
The IUPAC name of 4-chloro-2-ethyl-5-methyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidine (CID 107751016) is 4-chloro-2-ethyl-5-methyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-5-methyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-5-methyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidine is CCc1nc(Cl)c(C)c(SC2CCOC2C)n1.
What is the InChIKey of 4-chloro-2-ethyl-5-methyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidine?
The InChIKey is TWQFZJZEBQVLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-4-10-14-11(13)7(2)12(15-10)17-9-5-6-16-8(9)3/h8-9H,4-6H2,1-3H3.
What are the key properties of 4-chloro-2-ethyl-5-methyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidine?
4-chloro-2-ethyl-5-methyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidine 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-(2-methyloxolan-3-yl)sulfanylpyrimidine is sourced from PubChem (CID 107751016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).