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

C18H20Cl2N4O2 — CID 95551993

IUPAC(2R)-2-(3,4-dichlorophenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)morpholine
SMILESClc1ccc([C@@H]2CN(c3cc(N4CCOCC4)ncn3)CCO2)cc1Cl
InChIInChI=1S/C18H20Cl2N4O2/c19-14-2-1-13(9-15(14)20)16-11-24(5-8-26-16)18-10-17(21-12-22-18)23-3-6-25-7-4-23/h1-2,9-10,12,16H,3-8,11H2/t16-/m0/s1
InChIKeyWSVSTFVCJHXPET-INIZCTEOSA-N
MW395.29 g/mol
LogP3.20
Rot. Bonds3

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

(2R)-2-(3,4-dichlorophenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)morpholine (PubChem CID 95551993) has the molecular formula C18H20Cl2N4O2 and a molecular weight of 395.29 g/mol. Its IUPAC name is (2R)-2-(3,4-dichlorophenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name(2R)-2-(3,4-dichlorophenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)morpholine
PubChem CID95551993
Molecular FormulaC18H20Cl2N4O2
Molecular Weight395.29 g/mol
Exact Mass394.10
IUPAC Name(2R)-2-(3,4-dichlorophenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)morpholine
SMILESClc1ccc([C@@H]2CN(c3cc(N4CCOCC4)ncn3)CCO2)cc1Cl
InChIInChI=1S/C18H20Cl2N4O2/c19-14-2-1-13(9-15(14)20)16-11-24(5-8-26-16)18-10-17(21-12-22-18)23-3-6-25-7-4-23/h1-2,9-10,12,16H,3-8,11H2/t16-/m0/s1
InChIKeyWSVSTFVCJHXPET-INIZCTEOSA-N
XLogP3.20
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine
CID 95551468
2-(4-bromophenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 133298883
2-(3,4-dichlorophenyl)-4-(5-methoxypyrimidin-2-yl)morpholine
CID 56868196
4-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95175522
(2R)-2-(4-chlorophenyl)-4-(6-cyclopropylpyrimidin-4-yl)morpholine
CID 95551625
(2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine
CID 95559034
2-(3,4-dichlorophenyl)-4-(3-methoxypyrazin-2-yl)morpholine
CID 56871103
2-(3,4-dichlorophenyl)-4-(4-methylpyrimidin-2-yl)morpholine
CID 56880782
2-(3,4-dichlorophenyl)-4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine
CID 56874837
6-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N,N-dimethylpyridine-3-carboxamide
CID 95532245
(2S)-2-(6-methoxynaphthalen-2-yl)-4-(6-methoxypyrimidin-4-yl)morpholine
CID 95560815
2-(3,4-dichlorophenyl)-4-(2,5-dimethyl-1,2,4-triazol-3-yl)morpholine
CID 135106958

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dichlorophenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)morpholine?
The IUPAC name of (2R)-2-(3,4-dichlorophenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)morpholine (CID 95551993) is (2R)-2-(3,4-dichlorophenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)morpholine.
What is the SMILES notation for (2R)-2-(3,4-dichlorophenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)morpholine?
The canonical SMILES for (2R)-2-(3,4-dichlorophenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)morpholine is Clc1ccc([C@@H]2CN(c3cc(N4CCOCC4)ncn3)CCO2)cc1Cl.
What is the InChIKey of (2R)-2-(3,4-dichlorophenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)morpholine?
The InChIKey is WSVSTFVCJHXPET-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20Cl2N4O2/c19-14-2-1-13(9-15(14)20)16-11-24(5-8-26-16)18-10-17(21-12-22-18)23-3-6-25-7-4-23/h1-2,9-10,12,16H,3-8,11H2/t16-/m0/s1.
What are the key properties of (2R)-2-(3,4-dichlorophenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)morpholine?
(2R)-2-(3,4-dichlorophenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)morpholine has a molecular weight of 395.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dichlorophenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 95551993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).