(3R)-4-[2-chloro-6-(methylsulfanylmethyl)pyrimidin-4-yl]-3-methylmorpholine

C11H16ClN3OS — CID 86660210

IUPAC(3R)-4-[2-chloro-6-(methylsulfanylmethyl)pyrimidin-4-yl]-3-methylmorpholine
SMILESCSCc1cc(N2CCOC[C@H]2C)nc(Cl)n1
InChIInChI=1S/C11H16ClN3OS/c1-8-6-16-4-3-15(8)10-5-9(7-17-2)13-11(12)14-10/h5,8H,3-4,6-7H2,1-2H3/t8-/m1/s1
InChIKeyOTURQEFENKJHCN-MRVPVSSYSA-N
MW273.79 g/mol
LogP2.22
Rot. Bonds3

About (3R)-4-[2-chloro-6-(methylsulfanylmethyl)pyrimidin-4-yl]-3-methylmorpholine

(3R)-4-[2-chloro-6-(methylsulfanylmethyl)pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 86660210) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is (3R)-4-[2-chloro-6-(methylsulfanylmethyl)pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[2-chloro-6-(methylsulfanylmethyl)pyrimidin-4-yl]-3-methylmorpholine
PubChem CID86660210
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name(3R)-4-[2-chloro-6-(methylsulfanylmethyl)pyrimidin-4-yl]-3-methylmorpholine
SMILESCSCc1cc(N2CCOC[C@H]2C)nc(Cl)n1
InChIInChI=1S/C11H16ClN3OS/c1-8-6-16-4-3-15(8)10-5-9(7-17-2)13-11(12)14-10/h5,8H,3-4,6-7H2,1-2H3/t8-/m1/s1
InChIKeyOTURQEFENKJHCN-MRVPVSSYSA-N
XLogP2.22
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-4-[2-chloro-6-(methylsulfanylmethyl)pyrimidin-4-yl]-3-methylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-chloro-6-(methylsulfanylmethyl)pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[2-chloro-6-(methylsulfanylmethyl)pyrimidin-4-yl]-3-methylmorpholine (CID 86660210) is (3R)-4-[2-chloro-6-(methylsulfanylmethyl)pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[2-chloro-6-(methylsulfanylmethyl)pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[2-chloro-6-(methylsulfanylmethyl)pyrimidin-4-yl]-3-methylmorpholine is CSCc1cc(N2CCOC[C@H]2C)nc(Cl)n1.
What is the InChIKey of (3R)-4-[2-chloro-6-(methylsulfanylmethyl)pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is OTURQEFENKJHCN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-8-6-16-4-3-15(8)10-5-9(7-17-2)13-11(12)14-10/h5,8H,3-4,6-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (3R)-4-[2-chloro-6-(methylsulfanylmethyl)pyrimidin-4-yl]-3-methylmorpholine?
(3R)-4-[2-chloro-6-(methylsulfanylmethyl)pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 273.79 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[2-chloro-6-(methylsulfanylmethyl)pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 86660210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).