2-(3,4-dimethoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide

C18H22N4O4 — CID 71794824

IUPAC2-(3,4-dimethoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(N3CCOCC3)ncn2)cc1OC
InChIInChI=1S/C18H22N4O4/c1-24-14-4-3-13(9-15(14)25-2)10-18(23)21-16-11-17(20-12-19-16)22-5-7-26-8-6-22/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,19,20,21,23)
InChIKeyDYPQQKCUXWAPBZ-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.51
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide

2-(3,4-dimethoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide (PubChem CID 71794824) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
PubChem CID71794824
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(N3CCOCC3)ncn2)cc1OC
InChIInChI=1S/C18H22N4O4/c1-24-14-4-3-13(9-15(14)25-2)10-18(23)21-16-11-17(20-12-19-16)22-5-7-26-8-6-22/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,19,20,21,23)
InChIKeyDYPQQKCUXWAPBZ-UHFFFAOYSA-N
XLogP1.51
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide (CID 71794824) is 2-(3,4-dimethoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide is COc1ccc(CC(=O)Nc2cc(N3CCOCC3)ncn2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide?
The InChIKey is DYPQQKCUXWAPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-24-14-4-3-13(9-15(14)25-2)10-18(23)21-16-11-17(20-12-19-16)22-5-7-26-8-6-22/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,19,20,21,23).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide has a molecular weight of 358.40 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 71794824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).