2-(4-chlorophenyl)-4-(5-ethyl-2-methylpyrimidin-4-yl)morpholine

C17H20ClN3O — CID 56862652

IUPAC2-(4-chlorophenyl)-4-(5-ethyl-2-methylpyrimidin-4-yl)morpholine
SMILESCCc1cnc(C)nc1N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H20ClN3O/c1-3-13-10-19-12(2)20-17(13)21-8-9-22-16(11-21)14-4-6-15(18)7-5-14/h4-7,10,16H,3,8-9,11H2,1-2H3
InChIKeyMNTLDVWBISBXHN-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.58
Rot. Bonds3

About 2-(4-chlorophenyl)-4-(5-ethyl-2-methylpyrimidin-4-yl)morpholine

2-(4-chlorophenyl)-4-(5-ethyl-2-methylpyrimidin-4-yl)morpholine (PubChem CID 56862652) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(5-ethyl-2-methylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(5-ethyl-2-methylpyrimidin-4-yl)morpholine
PubChem CID56862652
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name2-(4-chlorophenyl)-4-(5-ethyl-2-methylpyrimidin-4-yl)morpholine
SMILESCCc1cnc(C)nc1N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H20ClN3O/c1-3-13-10-19-12(2)20-17(13)21-8-9-22-16(11-21)14-4-6-15(18)7-5-14/h4-7,10,16H,3,8-9,11H2,1-2H3
InChIKeyMNTLDVWBISBXHN-UHFFFAOYSA-N
XLogP3.58
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(5-ethyl-2-methylpyrimidin-4-yl)morpholine?
The IUPAC name of 2-(4-chlorophenyl)-4-(5-ethyl-2-methylpyrimidin-4-yl)morpholine (CID 56862652) is 2-(4-chlorophenyl)-4-(5-ethyl-2-methylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(5-ethyl-2-methylpyrimidin-4-yl)morpholine?
The canonical SMILES for 2-(4-chlorophenyl)-4-(5-ethyl-2-methylpyrimidin-4-yl)morpholine is CCc1cnc(C)nc1N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(5-ethyl-2-methylpyrimidin-4-yl)morpholine?
The InChIKey is MNTLDVWBISBXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-3-13-10-19-12(2)20-17(13)21-8-9-22-16(11-21)14-4-6-15(18)7-5-14/h4-7,10,16H,3,8-9,11H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-4-(5-ethyl-2-methylpyrimidin-4-yl)morpholine?
2-(4-chlorophenyl)-4-(5-ethyl-2-methylpyrimidin-4-yl)morpholine has a molecular weight of 317.82 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(5-ethyl-2-methylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 56862652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).