2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide

C21H28N4O3 — CID 91903991

IUPAC2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
SMILESCCc1cc(=O)n(CC(=O)Nc2cccc(C(C)C)c2)c(N2CCOCC2)n1
InChIInChI=1S/C21H28N4O3/c1-4-17-13-20(27)25(21(23-17)24-8-10-28-11-9-24)14-19(26)22-18-7-5-6-16(12-18)15(2)3/h5-7,12-13,15H,4,8-11,14H2,1-3H3,(H,22,26)
InChIKeyCMAIIAVAQBSPRA-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.40
Rot. Bonds6

About 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide

2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 91903991) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
PubChem CID91903991
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
SMILESCCc1cc(=O)n(CC(=O)Nc2cccc(C(C)C)c2)c(N2CCOCC2)n1
InChIInChI=1S/C21H28N4O3/c1-4-17-13-20(27)25(21(23-17)24-8-10-28-11-9-24)14-19(26)22-18-7-5-6-16(12-18)15(2)3/h5-7,12-13,15H,4,8-11,14H2,1-3H3,(H,22,26)
InChIKeyCMAIIAVAQBSPRA-UHFFFAOYSA-N
XLogP2.40
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide (CID 91903991) is 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide is CCc1cc(=O)n(CC(=O)Nc2cccc(C(C)C)c2)c(N2CCOCC2)n1.
What is the InChIKey of 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is CMAIIAVAQBSPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-4-17-13-20(27)25(21(23-17)24-8-10-28-11-9-24)14-19(26)22-18-7-5-6-16(12-18)15(2)3/h5-7,12-13,15H,4,8-11,14H2,1-3H3,(H,22,26).
What are the key properties of 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide?
2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 384.48 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 91903991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).