2-chloro-5-methyl-4-(oxetan-3-ylsulfanyl)pyrimidine

C8H9ClN2OS — CID 79326187

IUPAC2-chloro-5-methyl-4-(oxetan-3-ylsulfanyl)pyrimidine
SMILESCc1cnc(Cl)nc1SC1COC1
InChIInChI=1S/C8H9ClN2OS/c1-5-2-10-8(9)11-7(5)13-6-3-12-4-6/h2,6H,3-4H2,1H3
InChIKeyDRZZCDYZACJWSI-UHFFFAOYSA-N
MW216.69 g/mol
LogP1.93
Rot. Bonds2

About 2-chloro-5-methyl-4-(oxetan-3-ylsulfanyl)pyrimidine

2-chloro-5-methyl-4-(oxetan-3-ylsulfanyl)pyrimidine (PubChem CID 79326187) has the molecular formula C8H9ClN2OS and a molecular weight of 216.69 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-(oxetan-3-ylsulfanyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-(oxetan-3-ylsulfanyl)pyrimidine
PubChem CID79326187
Molecular FormulaC8H9ClN2OS
Molecular Weight216.69 g/mol
Exact Mass216.01
IUPAC Name2-chloro-5-methyl-4-(oxetan-3-ylsulfanyl)pyrimidine
SMILESCc1cnc(Cl)nc1SC1COC1
InChIInChI=1S/C8H9ClN2OS/c1-5-2-10-8(9)11-7(5)13-6-3-12-4-6/h2,6H,3-4H2,1H3
InChIKeyDRZZCDYZACJWSI-UHFFFAOYSA-N
XLogP1.93
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-methyl-4-(3-methylcyclohexyl)sulfanylpyrimidine
CID 79073826
5-methyl-6-(oxetan-3-ylsulfanyl)pyridine-3-carbaldehyde
CID 80640287
5-bromo-2-chloro-4-(oxan-4-ylsulfanyl)pyrimidine
CID 79073525
5-methyl-2-(oxetan-3-ylsulfanyl)pyridin-3-amine
CID 79326602
2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494855
2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-1,3-thiazole
CID 79073930
5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine
CID 89255962
2-chloro-5-methyl-4-pentylsulfanylpyrimidine
CID 107751108
5-chloro-4-(oxetan-3-ylsulfanyl)-1H-pyrimidin-6-one
CID 114791303
N-[[5-methyl-6-(oxetan-3-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine
CID 80650758
3,5-dichloro-N-ethyl-6-(oxetan-3-ylsulfanyl)pyridin-2-amine
CID 102761558
2-chloro-5-methyl-4-[(3-methylphenyl)methylsulfanyl]pyrimidine
CID 79072442

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-(oxetan-3-ylsulfanyl)pyrimidine?
The IUPAC name of 2-chloro-5-methyl-4-(oxetan-3-ylsulfanyl)pyrimidine (CID 79326187) is 2-chloro-5-methyl-4-(oxetan-3-ylsulfanyl)pyrimidine.
What is the SMILES notation for 2-chloro-5-methyl-4-(oxetan-3-ylsulfanyl)pyrimidine?
The canonical SMILES for 2-chloro-5-methyl-4-(oxetan-3-ylsulfanyl)pyrimidine is Cc1cnc(Cl)nc1SC1COC1.
What is the InChIKey of 2-chloro-5-methyl-4-(oxetan-3-ylsulfanyl)pyrimidine?
The InChIKey is DRZZCDYZACJWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2OS/c1-5-2-10-8(9)11-7(5)13-6-3-12-4-6/h2,6H,3-4H2,1H3.
What are the key properties of 2-chloro-5-methyl-4-(oxetan-3-ylsulfanyl)pyrimidine?
2-chloro-5-methyl-4-(oxetan-3-ylsulfanyl)pyrimidine has a molecular weight of 216.69 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-(oxetan-3-ylsulfanyl)pyrimidine is sourced from PubChem (CID 79326187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).