1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one

C16H23N7O — CID 118789062

IUPAC1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
SMILESCc1cc(N2CCN(C(=O)CCCc3cn[nH]c3)CC2)nc(N)n1
InChIInChI=1S/C16H23N7O/c1-12-9-14(21-16(17)20-12)22-5-7-23(8-6-22)15(24)4-2-3-13-10-18-19-11-13/h9-11H,2-8H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyUIWKKBLTOZWWQB-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.76
Rot. Bonds5

About 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one

1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one (PubChem CID 118789062) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one.

Molecular Properties

Compound Name1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
PubChem CID118789062
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
SMILESCc1cc(N2CCN(C(=O)CCCc3cn[nH]c3)CC2)nc(N)n1
InChIInChI=1S/C16H23N7O/c1-12-9-14(21-16(17)20-12)22-5-7-23(8-6-22)15(24)4-2-3-13-10-18-19-11-13/h9-11H,2-8H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyUIWKKBLTOZWWQB-UHFFFAOYSA-N
XLogP0.76
TPSA104.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one with MolForge

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Related Compounds

(5S)-5-[3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 97109983
1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-2-cyclohexylethanone
CID 51106955
1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 56699978
1-[4-(dimethylamino)azepan-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 56908749
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 118776866
1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 56872537
1-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-4-(1H-pyrazol-4-yl)butan-1-one
CID 164694201
1-(4-heptylpiperazin-1-yl)-3-(1H-pyrazol-4-yl)propan-1-one
CID 131933931
1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 56912996
5-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]-1-ethylpiperidin-2-one
CID 70755456
methyl 5-[(3aS,6aS)-1-[4-(1H-pyrazol-4-yl)butanoyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-5-oxopentanoate
CID 156584718
1-[(3R,4R)-3-(azepan-1-ylmethyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 72893376

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one?
The IUPAC name of 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one (CID 118789062) is 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one.
What is the SMILES notation for 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one?
The canonical SMILES for 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one is Cc1cc(N2CCN(C(=O)CCCc3cn[nH]c3)CC2)nc(N)n1.
What is the InChIKey of 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one?
The InChIKey is UIWKKBLTOZWWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-12-9-14(21-16(17)20-12)22-5-7-23(8-6-22)15(24)4-2-3-13-10-18-19-11-13/h9-11H,2-8H2,1H3,(H,18,19)(H2,17,20,21).
What are the key properties of 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one?
1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one has a molecular weight of 329.41 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one is sourced from PubChem (CID 118789062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).