4-chloro-2-methylsulfanyl-6-(oxolan-2-ylmethoxy)pyrimidine

C10H13ClN2O2S — CID 80544680

IUPAC4-chloro-2-methylsulfanyl-6-(oxolan-2-ylmethoxy)pyrimidine
SMILESCSc1nc(Cl)cc(OCC2CCCO2)n1
InChIInChI=1S/C10H13ClN2O2S/c1-16-10-12-8(11)5-9(13-10)15-6-7-3-2-4-14-7/h5,7H,2-4,6H2,1H3
InChIKeyUJLKBHANQICMPL-UHFFFAOYSA-N
MW260.75 g/mol
LogP2.41
Rot. Bonds4

About 4-chloro-2-methylsulfanyl-6-(oxolan-2-ylmethoxy)pyrimidine

4-chloro-2-methylsulfanyl-6-(oxolan-2-ylmethoxy)pyrimidine (PubChem CID 80544680) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 4-chloro-2-methylsulfanyl-6-(oxolan-2-ylmethoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methylsulfanyl-6-(oxolan-2-ylmethoxy)pyrimidine
PubChem CID80544680
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name4-chloro-2-methylsulfanyl-6-(oxolan-2-ylmethoxy)pyrimidine
SMILESCSc1nc(Cl)cc(OCC2CCCO2)n1
InChIInChI=1S/C10H13ClN2O2S/c1-16-10-12-8(11)5-9(13-10)15-6-7-3-2-4-14-7/h5,7H,2-4,6H2,1H3
InChIKeyUJLKBHANQICMPL-UHFFFAOYSA-N
XLogP2.41
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-(oxolan-2-ylmethoxy)-4-(trichloromethyl)pyridine
CID 21330006
4-chloro-2-methylsulfanyl-6-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride
CID 71643212
6-(oxolan-2-ylmethoxy)-2-propylpyrimidin-4-amine
CID 80950568
oxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate
CID 63841492
2-(chloromethyl)-6-(oxolan-2-ylmethoxy)pyrazine
CID 66467570
4-N-methyl-6-(oxolan-2-ylmethoxy)pyrimidine-2,4-diamine
CID 80859711
tert-butyl (2S)-2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 97168393
3-chloro-6-(oxan-2-ylmethoxy)pyridazine
CID 24688626
N-methyl-6-(oxolan-2-ylmethoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80965962
2-[(2,4,5-trichlorophenoxy)methyl]oxolane
CID 112779327
N-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719727
4-chloro-2-methylsulfanyl-6-(3,3,3-trifluoropropoxy)pyrimidine
CID 82955064

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylsulfanyl-6-(oxolan-2-ylmethoxy)pyrimidine?
The IUPAC name of 4-chloro-2-methylsulfanyl-6-(oxolan-2-ylmethoxy)pyrimidine (CID 80544680) is 4-chloro-2-methylsulfanyl-6-(oxolan-2-ylmethoxy)pyrimidine.
What is the SMILES notation for 4-chloro-2-methylsulfanyl-6-(oxolan-2-ylmethoxy)pyrimidine?
The canonical SMILES for 4-chloro-2-methylsulfanyl-6-(oxolan-2-ylmethoxy)pyrimidine is CSc1nc(Cl)cc(OCC2CCCO2)n1.
What is the InChIKey of 4-chloro-2-methylsulfanyl-6-(oxolan-2-ylmethoxy)pyrimidine?
The InChIKey is UJLKBHANQICMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c1-16-10-12-8(11)5-9(13-10)15-6-7-3-2-4-14-7/h5,7H,2-4,6H2,1H3.
What are the key properties of 4-chloro-2-methylsulfanyl-6-(oxolan-2-ylmethoxy)pyrimidine?
4-chloro-2-methylsulfanyl-6-(oxolan-2-ylmethoxy)pyrimidine has a molecular weight of 260.75 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylsulfanyl-6-(oxolan-2-ylmethoxy)pyrimidine is sourced from PubChem (CID 80544680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).