2-(3,4-dichlorophenyl)-4-(4-methylpyrimidin-2-yl)morpholine

C15H15Cl2N3O — CID 56880782

IUPAC2-(3,4-dichlorophenyl)-4-(4-methylpyrimidin-2-yl)morpholine
SMILESCc1ccnc(N2CCOC(c3ccc(Cl)c(Cl)c3)C2)n1
InChIInChI=1S/C15H15Cl2N3O/c1-10-4-5-18-15(19-10)20-6-7-21-14(9-20)11-2-3-12(16)13(17)8-11/h2-5,8,14H,6-7,9H2,1H3
InChIKeyNFUAFDAPDBOQMT-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.67
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-4-(4-methylpyrimidin-2-yl)morpholine

2-(3,4-dichlorophenyl)-4-(4-methylpyrimidin-2-yl)morpholine (PubChem CID 56880782) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-(4-methylpyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-(4-methylpyrimidin-2-yl)morpholine
PubChem CID56880782
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name2-(3,4-dichlorophenyl)-4-(4-methylpyrimidin-2-yl)morpholine
SMILESCc1ccnc(N2CCOC(c3ccc(Cl)c(Cl)c3)C2)n1
InChIInChI=1S/C15H15Cl2N3O/c1-10-4-5-18-15(19-10)20-6-7-21-14(9-20)11-2-3-12(16)13(17)8-11/h2-5,8,14H,6-7,9H2,1H3
InChIKeyNFUAFDAPDBOQMT-UHFFFAOYSA-N
XLogP3.67
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-(4-methylpyrimidin-2-yl)morpholine?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-(4-methylpyrimidin-2-yl)morpholine (CID 56880782) is 2-(3,4-dichlorophenyl)-4-(4-methylpyrimidin-2-yl)morpholine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-(4-methylpyrimidin-2-yl)morpholine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-(4-methylpyrimidin-2-yl)morpholine is Cc1ccnc(N2CCOC(c3ccc(Cl)c(Cl)c3)C2)n1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-(4-methylpyrimidin-2-yl)morpholine?
The InChIKey is NFUAFDAPDBOQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-10-4-5-18-15(19-10)20-6-7-21-14(9-20)11-2-3-12(16)13(17)8-11/h2-5,8,14H,6-7,9H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-4-(4-methylpyrimidin-2-yl)morpholine?
2-(3,4-dichlorophenyl)-4-(4-methylpyrimidin-2-yl)morpholine has a molecular weight of 324.21 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-(4-methylpyrimidin-2-yl)morpholine is sourced from PubChem (CID 56880782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).