4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine

C9H11Cl2N3O — CID 134511412

IUPAC4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine
SMILESCc1nc(Cl)c(Cl)c(N2CCOCC2)n1
InChIInChI=1S/C9H11Cl2N3O/c1-6-12-8(11)7(10)9(13-6)14-2-4-15-5-3-14/h2-5H2,1H3
InChIKeyRYOGNPVVHXQUOB-UHFFFAOYSA-N
MW248.11 g/mol
LogP1.93
Rot. Bonds1

About 4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine

4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine (PubChem CID 134511412) has the molecular formula C9H11Cl2N3O and a molecular weight of 248.11 g/mol. Its IUPAC name is 4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine
PubChem CID134511412
Molecular FormulaC9H11Cl2N3O
Molecular Weight248.11 g/mol
Exact Mass247.03
IUPAC Name4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine
SMILESCc1nc(Cl)c(Cl)c(N2CCOCC2)n1
InChIInChI=1S/C9H11Cl2N3O/c1-6-12-8(11)7(10)9(13-6)14-2-4-15-5-3-14/h2-5H2,1H3
InChIKeyRYOGNPVVHXQUOB-UHFFFAOYSA-N
XLogP1.93
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(5,6-dichloro-2-methylpyrimidin-4-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-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine?
The IUPAC name of 4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine (CID 134511412) is 4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine is Cc1nc(Cl)c(Cl)c(N2CCOCC2)n1.
What is the InChIKey of 4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine?
The InChIKey is RYOGNPVVHXQUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3O/c1-6-12-8(11)7(10)9(13-6)14-2-4-15-5-3-14/h2-5H2,1H3.
What are the key properties of 4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine?
4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine has a molecular weight of 248.11 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 134511412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).