1-[1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]piperidin-3-yl]-2-phenylethanone

C21H26N4O2 — CID 70712573

IUPAC1-[1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]piperidin-3-yl]-2-phenylethanone
SMILESCc1nc(N)nc(C)c1CC(=O)N1CCCC(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C21H26N4O2/c1-14-18(15(2)24-21(22)23-14)12-20(27)25-10-6-9-17(13-25)19(26)11-16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-13H2,1-2H3,(H2,22,23,24)
InChIKeyINCKVEZUPZZARR-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.27
Rot. Bonds5

About 1-[1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]piperidin-3-yl]-2-phenylethanone

1-[1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]piperidin-3-yl]-2-phenylethanone (PubChem CID 70712573) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]piperidin-3-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]piperidin-3-yl]-2-phenylethanone
PubChem CID70712573
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-[1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]piperidin-3-yl]-2-phenylethanone
SMILESCc1nc(N)nc(C)c1CC(=O)N1CCCC(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C21H26N4O2/c1-14-18(15(2)24-21(22)23-14)12-20(27)25-10-6-9-17(13-25)19(26)11-16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-13H2,1-2H3,(H2,22,23,24)
InChIKeyINCKVEZUPZZARR-UHFFFAOYSA-N
XLogP2.27
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethanone
CID 95463526
[2-oxo-2-[(3S)-3-(2-phenylacetyl)piperidin-1-yl]ethyl]urea
CID 95214767
2-[2-[(3S)-1-benzylpiperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-1-piperidin-1-ylethanone
CID 124980298
ethyl 1-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperidine-3-carboxylate
CID 55345323
2-[4,6-dimethyl-2-[1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]-1-piperidin-1-ylethanone
CID 110083249
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]ethanone
CID 56871242
1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone
CID 56885682
1-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-2-phenylethanone
CID 70780899
3-methyl-5-[2-oxo-2-[3-(2-phenylacetyl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 70758226
1-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-3-yl]-2-phenylethanone
CID 70720193
1-[3-(4-methylbenzoyl)piperidin-1-yl]-2-phenylethanone
CID 110394612
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]ethanone
CID 56877144

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]piperidin-3-yl]-2-phenylethanone?
The IUPAC name of 1-[1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]piperidin-3-yl]-2-phenylethanone (CID 70712573) is 1-[1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]piperidin-3-yl]-2-phenylethanone.
What is the SMILES notation for 1-[1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]piperidin-3-yl]-2-phenylethanone?
The canonical SMILES for 1-[1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]piperidin-3-yl]-2-phenylethanone is Cc1nc(N)nc(C)c1CC(=O)N1CCCC(C(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-[1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]piperidin-3-yl]-2-phenylethanone?
The InChIKey is INCKVEZUPZZARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14-18(15(2)24-21(22)23-14)12-20(27)25-10-6-9-17(13-25)19(26)11-16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-13H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-[1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]piperidin-3-yl]-2-phenylethanone?
1-[1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]piperidin-3-yl]-2-phenylethanone has a molecular weight of 366.47 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]piperidin-3-yl]-2-phenylethanone is sourced from PubChem (CID 70712573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).