5-(4-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine

C17H21ClN4O — CID 171989086

IUPAC5-(4-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
SMILESCc1nc(NCCN2CCOCC2)ncc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN4O/c1-13-16(14-2-4-15(18)5-3-14)12-20-17(21-13)19-6-7-22-8-10-23-11-9-22/h2-5,12H,6-11H2,1H3,(H,19,20,21)
InChIKeyAFJSAQYAEIXMIH-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.85
Rot. Bonds5

About 5-(4-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine

5-(4-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine (PubChem CID 171989086) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
PubChem CID171989086
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC Name5-(4-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
SMILESCc1nc(NCCN2CCOCC2)ncc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN4O/c1-13-16(14-2-4-15(18)5-3-14)12-20-17(21-13)19-6-7-22-8-10-23-11-9-22/h2-5,12H,6-11H2,1H3,(H,19,20,21)
InChIKeyAFJSAQYAEIXMIH-UHFFFAOYSA-N
XLogP2.85
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-5-[4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]benzamide
CID 90322943
2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 1095343
4-chloro-6-methyl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine
CID 143985982
5-chloro-4-N-(2-morpholin-4-ylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80777687
4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807
ethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate
CID 17121387
6-(4-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)furo[2,3-d]pyrimidin-4-amine
CID 11667883
N-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 92571387
4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid
CID 83182094
4-(5-methyl-1H-pyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 59564852
2-N,4-N-bis(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887262
5-(3-fluorophenyl)-4-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 92567545

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine (CID 171989086) is 5-(4-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine is Cc1nc(NCCN2CCOCC2)ncc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
The InChIKey is AFJSAQYAEIXMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-13-16(14-2-4-15(18)5-3-14)12-20-17(21-13)19-6-7-22-8-10-23-11-9-22/h2-5,12H,6-11H2,1H3,(H,19,20,21).
What are the key properties of 5-(4-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine?
5-(4-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine has a molecular weight of 332.83 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 171989086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).