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

C18H22ClN3O — CID 56877952

IUPAC2-(4-chlorophenyl)-4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)morpholine
SMILESCc1nc(C(C)C)cc(N2CCOC(c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C18H22ClN3O/c1-12(2)16-10-18(21-13(3)20-16)22-8-9-23-17(11-22)14-4-6-15(19)7-5-14/h4-7,10,12,17H,8-9,11H2,1-3H3
InChIKeyPUNQZVWYRDDFDR-UHFFFAOYSA-N
MW331.85 g/mol
LogP4.14
Rot. Bonds3

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

2-(4-chlorophenyl)-4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)morpholine (PubChem CID 56877952) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)morpholine
PubChem CID56877952
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name2-(4-chlorophenyl)-4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)morpholine
SMILESCc1nc(C(C)C)cc(N2CCOC(c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C18H22ClN3O/c1-12(2)16-10-18(21-13(3)20-16)22-8-9-23-17(11-22)14-4-6-15(19)7-5-14/h4-7,10,12,17H,8-9,11H2,1-3H3
InChIKeyPUNQZVWYRDDFDR-UHFFFAOYSA-N
XLogP4.14
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(4-chlorophenyl)-4-(6-propan-2-ylpyrimidin-4-yl)morpholine
CID 95559034
4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449908
4-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95175522
2-(3,4-dichlorophenyl)-4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)morpholine
CID 56874837
2-[2-(4-chlorophenyl)morpholin-4-yl]quinoline-4-carboxylic acid
CID 56875818
4-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95584085
2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-propan-2-ylpyridine-4-carboxamide
CID 95435807
(2R)-2-(4-chlorophenyl)-4-(6-cyclopropylpyrimidin-4-yl)morpholine
CID 95551625
2-(4-chlorophenyl)-4-(3-methoxy-6-methyl-2-pyridinyl)morpholine
CID 146042914
(2R)-4-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129339901
2-(3-chloro-4-fluorophenyl)-4-(6-methylpyrazin-2-yl)morpholine
CID 133469954
4-(6-ethyl-2-methylpyrimidin-4-yl)-2-thiophen-3-ylmorpholine
CID 133472437

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)morpholine?
The IUPAC name of 2-(4-chlorophenyl)-4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)morpholine (CID 56877952) is 2-(4-chlorophenyl)-4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)morpholine?
The canonical SMILES for 2-(4-chlorophenyl)-4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)morpholine is Cc1nc(C(C)C)cc(N2CCOC(c3ccc(Cl)cc3)C2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)morpholine?
The InChIKey is PUNQZVWYRDDFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-12(2)16-10-18(21-13(3)20-16)22-8-9-23-17(11-22)14-4-6-15(19)7-5-14/h4-7,10,12,17H,8-9,11H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)morpholine?
2-(4-chlorophenyl)-4-(2-methyl-6-propan-2-ylpyrimidin-4-yl)morpholine has a molecular weight of 331.85 g/mol, XLogP of 4.14, 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-(2-methyl-6-propan-2-ylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 56877952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).