2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine

C9H10ClFN2OS — CID 106494885

IUPAC2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
SMILESFc1cnc(Cl)nc1SCC1CCCO1
InChIInChI=1S/C9H10ClFN2OS/c10-9-12-4-7(11)8(13-9)15-5-6-2-1-3-14-6/h4,6H,1-3,5H2
InChIKeyJGMNLNAXAIHQPM-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.54
Rot. Bonds3

About 2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine

2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine (PubChem CID 106494885) has the molecular formula C9H10ClFN2OS and a molecular weight of 248.71 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
PubChem CID106494885
Molecular FormulaC9H10ClFN2OS
Molecular Weight248.71 g/mol
Exact Mass248.02
IUPAC Name2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
SMILESFc1cnc(Cl)nc1SCC1CCCO1
InChIInChI=1S/C9H10ClFN2OS/c10-9-12-4-7(11)8(13-9)15-5-6-2-1-3-14-6/h4,6H,1-3,5H2
InChIKeyJGMNLNAXAIHQPM-UHFFFAOYSA-N
XLogP2.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494855
N-ethyl-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidin-2-amine
CID 106497884
5-chloro-3-fluoro-2-(oxolan-2-ylmethylsulfanyl)pyridine
CID 106495322
2-chloro-5-fluoro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 79081086
2-chloro-5-fluoro-4-(oxan-2-ylmethoxy)pyrimidine
CID 79081513
3-[[(2R)-oxolan-2-yl]methylsulfanyl]pyrazin-2-amine
CID 130831521
6-chloro-2-(oxolan-2-ylmethylsulfanyl)pyridine-3-carboxylic acid
CID 106493760
5-bromo-6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine
CID 106494015
5-methyl-6-(oxolan-2-ylmethylsulfanyl)pyridine-3-carbaldehyde
CID 106496473
3-bromo-2-(oxolan-2-ylmethylsulfanyl)pyridine
CID 103678592
4-chloro-6-(oxolan-2-ylmethylsulfanyl)-2-(trifluoromethyl)pyrimidine
CID 106768785
4-chloro-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
CID 106494848

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine (CID 106494885) is 2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine is Fc1cnc(Cl)nc1SCC1CCCO1.
What is the InChIKey of 2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine?
The InChIKey is JGMNLNAXAIHQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2OS/c10-9-12-4-7(11)8(13-9)15-5-6-2-1-3-14-6/h4,6H,1-3,5H2.
What are the key properties of 2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine?
2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine has a molecular weight of 248.71 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(oxolan-2-ylmethylsulfanyl)pyrimidine is sourced from PubChem (CID 106494885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).