(2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine

C17H20ClN3O — CID 95559034

IUPAC(2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine
SMILESCC(C)c1cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)ncn1
InChIInChI=1S/C17H20ClN3O/c1-12(2)15-9-17(20-11-19-15)21-7-8-22-16(10-21)13-3-5-14(18)6-4-13/h3-6,9,11-12,16H,7-8,10H2,1-2H3/t16-/m0/s1
InChIKeyOITHWVIVKRXARE-INIZCTEOSA-N
MW317.82 g/mol
LogP3.83
Rot. Bonds3

About (2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine

(2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine (PubChem CID 95559034) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine
PubChem CID95559034
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name(2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine
SMILESCC(C)c1cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)ncn1
InChIInChI=1S/C17H20ClN3O/c1-12(2)15-9-17(20-11-19-15)21-7-8-22-16(10-21)13-3-5-14(18)6-4-13/h3-6,9,11-12,16H,7-8,10H2,1-2H3/t16-/m0/s1
InChIKeyOITHWVIVKRXARE-INIZCTEOSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)morpholine
CID 56877952
(2R)-2-(4-chlorophenyl)-4-(6-cyclopropylpyrimidin-4-yl)morpholine
CID 95551625
(2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine
CID 95551468
2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-propan-2-ylpyridine-4-carboxamide
CID 95435807
(2R)-2-(3,4-dichlorophenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)morpholine
CID 95551993
2-(4-chlorophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)morpholine
CID 24855235
2-(4-bromophenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 133298883
5-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pyrazine-2-carboxylic acid
CID 122057769
2-(4-chlorophenyl)-4-(3-methoxy-6-methyl-2-pyridinyl)morpholine
CID 146042914
2-(4-chlorophenyl)-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 86808286
4-(3-chloro-4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine
CID 102960858
(2S)-2-(6-methoxynaphthalen-2-yl)-4-(6-methoxypyrimidin-4-yl)morpholine
CID 95560815

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine?
The IUPAC name of (2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine (CID 95559034) is (2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine is CC(C)c1cc(N2CCO[C@H](c3ccc(Cl)cc3)C2)ncn1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine?
The InChIKey is OITHWVIVKRXARE-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-12(2)15-9-17(20-11-19-15)21-7-8-22-16(10-21)13-3-5-14(18)6-4-13/h3-6,9,11-12,16H,7-8,10H2,1-2H3/t16-/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine?
(2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine has a molecular weight of 317.82 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 95559034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).