2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone

C18H25N7O2 — CID 118776866

IUPAC2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)c1c(C)nn(CC(=O)N2CCN(c3cc(C)nc(N)n3)CC2)c1C
InChIInChI=1S/C18H25N7O2/c1-11-9-15(21-18(19)20-11)23-5-7-24(8-6-23)16(27)10-25-13(3)17(14(4)26)12(2)22-25/h9H,5-8,10H2,1-4H3,(H2,19,20,21)
InChIKeyFHHZOLOWLCGLIW-UHFFFAOYSA-N
MW371.45 g/mol
LogP0.73
Rot. Bonds4

About 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone

2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 118776866) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID118776866
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC Name2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)c1c(C)nn(CC(=O)N2CCN(c3cc(C)nc(N)n3)CC2)c1C
InChIInChI=1S/C18H25N7O2/c1-11-9-15(21-18(19)20-11)23-5-7-24(8-6-23)16(27)10-25-13(3)17(14(4)26)12(2)22-25/h9H,5-8,10H2,1-4H3,(H2,19,20,21)
InChIKeyFHHZOLOWLCGLIW-UHFFFAOYSA-N
XLogP0.73
TPSA110.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone
CID 51106955
1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 118789062
[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 50963218
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]ethanone
CID 56878495
5-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-1-ethylpiperidin-2-one
CID 70755456
(5S)-5-[3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 97109983
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]ethanone
CID 97120098
1-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]-3-methylpiperidine-3-carbonitrile
CID 90652340
methyl 4-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]piperazine-1-carboxylate
CID 61138194
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperidin-1-yl]ethanone
CID 91786322
8-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118767932
4-(azocan-1-yl)-6-methylpyrimidin-2-amine
CID 11521403

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone (CID 118776866) is 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone is CC(=O)c1c(C)nn(CC(=O)N2CCN(c3cc(C)nc(N)n3)CC2)c1C.
What is the InChIKey of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is FHHZOLOWLCGLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-11-9-15(21-18(19)20-11)23-5-7-24(8-6-23)16(27)10-25-13(3)17(14(4)26)12(2)22-25/h9H,5-8,10H2,1-4H3,(H2,19,20,21).
What are the key properties of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone?
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 371.45 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 118776866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).