4-(4-chloro-2,6-dimethoxypyrimidin-5-yl)morpholine

C10H14ClN3O3 — CID 135006488

IUPAC4-(4-chloro-2,6-dimethoxypyrimidin-5-yl)morpholine
SMILESCOc1nc(Cl)c(N2CCOCC2)c(OC)n1
InChIInChI=1S/C10H14ClN3O3/c1-15-9-7(14-3-5-17-6-4-14)8(11)12-10(13-9)16-2/h3-6H2,1-2H3
InChIKeyNBUBJCSPOCIETE-UHFFFAOYSA-N
MW259.69 g/mol
LogP0.98
Rot. Bonds3

About 4-(4-chloro-2,6-dimethoxypyrimidin-5-yl)morpholine

4-(4-chloro-2,6-dimethoxypyrimidin-5-yl)morpholine (PubChem CID 135006488) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 4-(4-chloro-2,6-dimethoxypyrimidin-5-yl)morpholine.

Molecular Properties

Compound Name4-(4-chloro-2,6-dimethoxypyrimidin-5-yl)morpholine
PubChem CID135006488
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name4-(4-chloro-2,6-dimethoxypyrimidin-5-yl)morpholine
SMILESCOc1nc(Cl)c(N2CCOCC2)c(OC)n1
InChIInChI=1S/C10H14ClN3O3/c1-15-9-7(14-3-5-17-6-4-14)8(11)12-10(13-9)16-2/h3-6H2,1-2H3
InChIKeyNBUBJCSPOCIETE-UHFFFAOYSA-N
XLogP0.98
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(4-chloro-2,6-dimethoxypyrimidin-5-yl)morpholine 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 4-(4-chloro-2,6-dimethoxypyrimidin-5-yl)morpholine?
The IUPAC name of 4-(4-chloro-2,6-dimethoxypyrimidin-5-yl)morpholine (CID 135006488) is 4-(4-chloro-2,6-dimethoxypyrimidin-5-yl)morpholine.
What is the SMILES notation for 4-(4-chloro-2,6-dimethoxypyrimidin-5-yl)morpholine?
The canonical SMILES for 4-(4-chloro-2,6-dimethoxypyrimidin-5-yl)morpholine is COc1nc(Cl)c(N2CCOCC2)c(OC)n1.
What is the InChIKey of 4-(4-chloro-2,6-dimethoxypyrimidin-5-yl)morpholine?
The InChIKey is NBUBJCSPOCIETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-15-9-7(14-3-5-17-6-4-14)8(11)12-10(13-9)16-2/h3-6H2,1-2H3.
What are the key properties of 4-(4-chloro-2,6-dimethoxypyrimidin-5-yl)morpholine?
4-(4-chloro-2,6-dimethoxypyrimidin-5-yl)morpholine has a molecular weight of 259.69 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2,6-dimethoxypyrimidin-5-yl)morpholine is sourced from PubChem (CID 135006488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).