2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide

C17H20N4O3 — CID 90544868

IUPAC2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2cc(N3CCCC3)ncn2)cc1
InChIInChI=1S/C17H20N4O3/c1-23-13-4-6-14(7-5-13)24-11-17(22)20-15-10-16(19-12-18-15)21-8-2-3-9-21/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,18,19,20,22)
InChIKeyZYVDILJDLFANHT-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.10
Rot. Bonds6

About 2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide

2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide (PubChem CID 90544868) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
PubChem CID90544868
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2cc(N3CCCC3)ncn2)cc1
InChIInChI=1S/C17H20N4O3/c1-23-13-4-6-14(7-5-13)24-11-17(22)20-15-10-16(19-12-18-15)21-8-2-3-9-21/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,18,19,20,22)
InChIKeyZYVDILJDLFANHT-UHFFFAOYSA-N
XLogP2.10
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544748
2-(1,3-benzodioxol-5-yloxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544517
2-(4-methoxyphenoxy)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 166327221
2-(4-methoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544086
2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544545
2-(2,4-dichlorophenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544493
2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylpyridazin-3-yl)acetamide
CID 113038736
2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90543826
2-(3-methylphenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544202
2-(4-methoxyphenoxy)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349495
2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991777
2-(4-methoxyphenoxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90492141

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide (CID 90544868) is 2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide is COc1ccc(OCC(=O)Nc2cc(N3CCCC3)ncn2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide?
The InChIKey is ZYVDILJDLFANHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-13-4-6-14(7-5-13)24-11-17(22)20-15-10-16(19-12-18-15)21-8-2-3-9-21/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,18,19,20,22).
What are the key properties of 2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide?
2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide has a molecular weight of 328.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 90544868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).