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

C10H14ClN3O — CID 58727577

IUPAC4-(4-chloro-5,6-dimethylpyrimidin-2-yl)morpholine
SMILESCc1nc(N2CCOCC2)nc(Cl)c1C
InChIInChI=1S/C10H14ClN3O/c1-7-8(2)12-10(13-9(7)11)14-3-5-15-6-4-14/h3-6H2,1-2H3
InChIKeyCFIIPIFDPKQAQG-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.58
Rot. Bonds1

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

4-(4-chloro-5,6-dimethylpyrimidin-2-yl)morpholine (PubChem CID 58727577) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-(4-chloro-5,6-dimethylpyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-chloro-5,6-dimethylpyrimidin-2-yl)morpholine
PubChem CID58727577
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name4-(4-chloro-5,6-dimethylpyrimidin-2-yl)morpholine
SMILESCc1nc(N2CCOCC2)nc(Cl)c1C
InChIInChI=1S/C10H14ClN3O/c1-7-8(2)12-10(13-9(7)11)14-3-5-15-6-4-14/h3-6H2,1-2H3
InChIKeyCFIIPIFDPKQAQG-UHFFFAOYSA-N
XLogP1.58
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-5,6-dimethylpyrimidin-2-yl)morpholine?
The IUPAC name of 4-(4-chloro-5,6-dimethylpyrimidin-2-yl)morpholine (CID 58727577) is 4-(4-chloro-5,6-dimethylpyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-(4-chloro-5,6-dimethylpyrimidin-2-yl)morpholine?
The canonical SMILES for 4-(4-chloro-5,6-dimethylpyrimidin-2-yl)morpholine is Cc1nc(N2CCOCC2)nc(Cl)c1C.
What is the InChIKey of 4-(4-chloro-5,6-dimethylpyrimidin-2-yl)morpholine?
The InChIKey is CFIIPIFDPKQAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-8(2)12-10(13-9(7)11)14-3-5-15-6-4-14/h3-6H2,1-2H3.
What are the key properties of 4-(4-chloro-5,6-dimethylpyrimidin-2-yl)morpholine?
4-(4-chloro-5,6-dimethylpyrimidin-2-yl)morpholine has a molecular weight of 227.69 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-5,6-dimethylpyrimidin-2-yl)morpholine is sourced from PubChem (CID 58727577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).