2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide

C19H24N4O2 — CID 90544545

IUPAC2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(N3CCCCC3)ncn2)c1C
InChIInChI=1S/C19H24N4O2/c1-14-7-6-8-16(15(14)2)25-12-19(24)22-17-11-18(21-13-20-17)23-9-4-3-5-10-23/h6-8,11,13H,3-5,9-10,12H2,1-2H3,(H,20,21,22,24)
InChIKeyMCIKRQSNTGYBSH-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.10
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide

2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide (PubChem CID 90544545) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
PubChem CID90544545
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2cc(N3CCCCC3)ncn2)c1C
InChIInChI=1S/C19H24N4O2/c1-14-7-6-8-16(15(14)2)25-12-19(24)22-17-11-18(21-13-20-17)23-9-4-3-5-10-23/h6-8,11,13H,3-5,9-10,12H2,1-2H3,(H,20,21,22,24)
InChIKeyMCIKRQSNTGYBSH-UHFFFAOYSA-N
XLogP3.10
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992490
2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
CID 90544868
2-(2,4-dichlorophenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544493
2-(2-methoxyphenoxy)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90543826
1-(2,3-dimethoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544779
2-(2,3-dimethylphenoxy)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)acetamide
CID 134707045
2-(3-methylphenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544202
2-(1,3-benzodioxol-5-yloxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544517
N-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 90544511
1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544742
N-[3-[[6-(azepan-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864653
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 43992652

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide (CID 90544545) is 2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide is Cc1cccc(OCC(=O)Nc2cc(N3CCCCC3)ncn2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide?
The InChIKey is MCIKRQSNTGYBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-7-6-8-16(15(14)2)25-12-19(24)22-17-11-18(21-13-20-17)23-9-4-3-5-10-23/h6-8,11,13H,3-5,9-10,12H2,1-2H3,(H,20,21,22,24).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide?
2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide has a molecular weight of 340.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 90544545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).