4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine

C10H14ClN3O — CID 62483626

IUPAC4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
SMILESCc1cc(N2CCOCC2C)nc(Cl)n1
InChIInChI=1S/C10H14ClN3O/c1-7-5-9(13-10(11)12-7)14-3-4-15-6-8(14)2/h5,8H,3-4,6H2,1-2H3
InChIKeyGEUUZHZFIXVYTE-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.66
Rot. Bonds1

About 4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine

4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine (PubChem CID 62483626) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine.

Molecular Properties

Compound Name4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
PubChem CID62483626
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
SMILESCc1cc(N2CCOCC2C)nc(Cl)n1
InChIInChI=1S/C10H14ClN3O/c1-7-5-9(13-10(11)12-7)14-3-4-15-6-8(14)2/h5,8H,3-4,6H2,1-2H3
InChIKeyGEUUZHZFIXVYTE-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine?
The IUPAC name of 4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine (CID 62483626) is 4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine.
What is the SMILES notation for 4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine?
The canonical SMILES for 4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine is Cc1cc(N2CCOCC2C)nc(Cl)n1.
What is the InChIKey of 4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine?
The InChIKey is GEUUZHZFIXVYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-5-9(13-10(11)12-7)14-3-4-15-6-8(14)2/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine?
4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine has a molecular weight of 227.69 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine is sourced from PubChem (CID 62483626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).