(2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine

C15H15Cl2N3O2 — CID 95551468

IUPAC(2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine
SMILESCOc1cc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)ncn1
InChIInChI=1S/C15H15Cl2N3O2/c1-21-15-7-14(18-9-19-15)20-4-5-22-13(8-20)10-2-3-11(16)12(17)6-10/h2-3,6-7,9,13H,4-5,8H2,1H3/t13-/m0/s1
InChIKeyMMSRWRRDNQSCDC-ZDUSSCGKSA-N
MW340.21 g/mol
LogP3.37
Rot. Bonds3

About (2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine

(2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine (PubChem CID 95551468) has the molecular formula C15H15Cl2N3O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is (2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name(2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine
PubChem CID95551468
Molecular FormulaC15H15Cl2N3O2
Molecular Weight340.21 g/mol
Exact Mass339.05
IUPAC Name(2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine
SMILESCOc1cc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)ncn1
InChIInChI=1S/C15H15Cl2N3O2/c1-21-15-7-14(18-9-19-15)20-4-5-22-13(8-20)10-2-3-11(16)12(17)6-10/h2-3,6-7,9,13H,4-5,8H2,1H3/t13-/m0/s1
InChIKeyMMSRWRRDNQSCDC-ZDUSSCGKSA-N
XLogP3.37
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine?
The IUPAC name of (2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine (CID 95551468) is (2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine.
What is the SMILES notation for (2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine?
The canonical SMILES for (2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine is COc1cc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)ncn1.
What is the InChIKey of (2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine?
The InChIKey is MMSRWRRDNQSCDC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2/c1-21-15-7-14(18-9-19-15)20-4-5-22-13(8-20)10-2-3-11(16)12(17)6-10/h2-3,6-7,9,13H,4-5,8H2,1H3/t13-/m0/s1.
What are the key properties of (2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine?
(2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine has a molecular weight of 340.21 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine is sourced from PubChem (CID 95551468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).