[6-[2-(4-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone

C18H21ClN4O2 — CID 75538831

IUPAC[6-[2-(4-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1nc(NCCc2ccc(Cl)cc2)cc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C18H21ClN4O2/c1-13-21-16(18(24)23-8-10-25-11-9-23)12-17(22-13)20-7-6-14-2-4-15(19)5-3-14/h2-5,12H,6-11H2,1H3,(H,20,21,22)
InChIKeySHUGUYIRYJOKOP-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.57
Rot. Bonds5

About [6-[2-(4-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone

[6-[2-(4-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 75538831) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is [6-[2-(4-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[2-(4-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID75538831
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name[6-[2-(4-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1nc(NCCc2ccc(Cl)cc2)cc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C18H21ClN4O2/c1-13-21-16(18(24)23-8-10-25-11-9-23)12-17(22-13)20-7-6-14-2-4-15(19)5-3-14/h2-5,12H,6-11H2,1H3,(H,20,21,22)
InChIKeySHUGUYIRYJOKOP-UHFFFAOYSA-N
XLogP2.57
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-[2-(4-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-[2-(4-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[2-(4-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone (CID 75538831) is [6-[2-(4-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[2-(4-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[2-(4-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone is Cc1nc(NCCc2ccc(Cl)cc2)cc(C(=O)N2CCOCC2)n1.
What is the InChIKey of [6-[2-(4-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is SHUGUYIRYJOKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-13-21-16(18(24)23-8-10-25-11-9-23)12-17(22-13)20-7-6-14-2-4-15(19)5-3-14/h2-5,12H,6-11H2,1H3,(H,20,21,22).
What are the key properties of [6-[2-(4-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
[6-[2-(4-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 360.85 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(4-chlorophenyl)ethylamino]-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 75538831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).