4-chloro-6-[(4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfanylpyrimidine

C9H10ClFN2O2S — CID 162778429

IUPAC4-chloro-6-[(4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(OC2COC[C@H]2F)n1
InChIInChI=1S/C9H10ClFN2O2S/c1-16-9-12-7(10)2-8(13-9)15-6-4-14-3-5(6)11/h2,5-6H,3-4H2,1H3/t5-,6?/m1/s1
InChIKeySYVJACTUVXSQOS-LWOQYNTDSA-N
MW264.71 g/mol
LogP1.97
Rot. Bonds3

About 4-chloro-6-[(4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfanylpyrimidine

4-chloro-6-[(4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfanylpyrimidine (PubChem CID 162778429) has the molecular formula C9H10ClFN2O2S and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-chloro-6-[(4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfanylpyrimidine
PubChem CID162778429
Molecular FormulaC9H10ClFN2O2S
Molecular Weight264.71 g/mol
Exact Mass264.01
IUPAC Name4-chloro-6-[(4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(OC2COC[C@H]2F)n1
InChIInChI=1S/C9H10ClFN2O2S/c1-16-9-12-7(10)2-8(13-9)15-6-4-14-3-5(6)11/h2,5-6H,3-4H2,1H3/t5-,6?/m1/s1
InChIKeySYVJACTUVXSQOS-LWOQYNTDSA-N
XLogP1.97
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-6-[(4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfanylpyrimidine (CID 162778429) is 4-chloro-6-[(4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-[(4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-[(4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfanylpyrimidine is CSc1nc(Cl)cc(OC2COC[C@H]2F)n1.
What is the InChIKey of 4-chloro-6-[(4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfanylpyrimidine?
The InChIKey is SYVJACTUVXSQOS-LWOQYNTDSA-N. The full InChI is InChI=1S/C9H10ClFN2O2S/c1-16-9-12-7(10)2-8(13-9)15-6-4-14-3-5(6)11/h2,5-6H,3-4H2,1H3/t5-,6?/m1/s1.
What are the key properties of 4-chloro-6-[(4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfanylpyrimidine?
4-chloro-6-[(4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfanylpyrimidine has a molecular weight of 264.71 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(4R)-4-fluorooxolan-3-yl]oxy-2-methylsulfanylpyrimidine is sourced from PubChem (CID 162778429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).