5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine

C17H20Cl2N4O — CID 95558901

IUPAC5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cn1
InChIInChI=1S/C17H20Cl2N4O/c1-22(2)17-20-8-12(9-21-17)10-23-5-6-24-16(11-23)13-3-4-14(18)15(19)7-13/h3-4,7-9,16H,5-6,10-11H2,1-2H3/t16-/m1/s1
InChIKeyUGJANHXYCDVWEG-MRXNPFEDSA-N
MW367.28 g/mol
LogP3.42
Rot. Bonds4

About 5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine

5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 95558901) has the molecular formula C17H20Cl2N4O and a molecular weight of 367.28 g/mol. Its IUPAC name is 5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine
PubChem CID95558901
Molecular FormulaC17H20Cl2N4O
Molecular Weight367.28 g/mol
Exact Mass366.10
IUPAC Name5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cn1
InChIInChI=1S/C17H20Cl2N4O/c1-22(2)17-20-8-12(9-21-17)10-23-5-6-24-16(11-23)13-3-4-14(18)15(19)7-13/h3-4,7-9,16H,5-6,10-11H2,1-2H3/t16-/m1/s1
InChIKeyUGJANHXYCDVWEG-MRXNPFEDSA-N
XLogP3.42
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine 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

(2S)-2-(3,4-dichlorophenyl)-4-[(1-propan-2-ylpyrazol-4-yl)methyl]morpholine
CID 95549633
4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol
CID 95553357
N,N-dimethyl-5-[[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methyl]pyrimidin-2-amine
CID 124964770
4-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844457
4-(4-benzylmorpholin-2-yl)-2-chlorophenol
CID 66654072
(2S)-2-(3,4-dichlorophenyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine
CID 95557665
2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine
CID 56879666
(2S)-2-(3,4-dichlorophenyl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine
CID 95558937
3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol
CID 95175790
3-[6-[(2R)-4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124956411
2-(3,4-dichlorophenyl)-4-(quinolin-5-ylmethyl)morpholine
CID 56868827
N,N-dimethyl-5-[[2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]methyl]pyrimidin-2-amine
CID 127249995

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine (CID 95558901) is 5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine is CN(C)c1ncc(CN2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cn1.
What is the InChIKey of 5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is UGJANHXYCDVWEG-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20Cl2N4O/c1-22(2)17-20-8-12(9-21-17)10-23-5-6-24-16(11-23)13-3-4-14(18)15(19)7-13/h3-4,7-9,16H,5-6,10-11H2,1-2H3/t16-/m1/s1.
What are the key properties of 5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine?
5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 367.28 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 95558901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).