1-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone

C19H24N4O3 — CID 118740187

IUPAC1-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone
SMILESCOc1ccc(-c2cnc(N(C)C)nc2C2CN(C(C)=O)CCO2)cc1
InChIInChI=1S/C19H24N4O3/c1-13(24)23-9-10-26-17(12-23)18-16(11-20-19(21-18)22(2)3)14-5-7-15(25-4)8-6-14/h5-8,11,17H,9-10,12H2,1-4H3
InChIKeyWMAGPMDMJQAGFB-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.14
Rot. Bonds4

About 1-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone

1-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone (PubChem CID 118740187) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone
PubChem CID118740187
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone
SMILESCOc1ccc(-c2cnc(N(C)C)nc2C2CN(C(C)=O)CCO2)cc1
InChIInChI=1S/C19H24N4O3/c1-13(24)23-9-10-26-17(12-23)18-16(11-20-19(21-18)22(2)3)14-5-7-15(25-4)8-6-14/h5-8,11,17H,9-10,12H2,1-4H3
InChIKeyWMAGPMDMJQAGFB-UHFFFAOYSA-N
XLogP2.14
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone?
The IUPAC name of 1-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone (CID 118740187) is 1-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone?
The canonical SMILES for 1-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone is COc1ccc(-c2cnc(N(C)C)nc2C2CN(C(C)=O)CCO2)cc1.
What is the InChIKey of 1-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone?
The InChIKey is WMAGPMDMJQAGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13(24)23-9-10-26-17(12-23)18-16(11-20-19(21-18)22(2)3)14-5-7-15(25-4)8-6-14/h5-8,11,17H,9-10,12H2,1-4H3.
What are the key properties of 1-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone?
1-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone has a molecular weight of 356.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone is sourced from PubChem (CID 118740187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).