1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one

C15H20N6O — CID 56700366

IUPAC1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C15H20N6O/c1-12(2)15(22)20-7-5-19(6-8-20)13-9-14(18-10-17-13)21-4-3-16-11-21/h3-4,9-12H,5-8H2,1-2H3
InChIKeyGUDZQKXEOQEQQF-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.97
Rot. Bonds3

About 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one

1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 56700366) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID56700366
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C15H20N6O/c1-12(2)15(22)20-7-5-19(6-8-20)13-9-14(18-10-17-13)21-4-3-16-11-21/h3-4,9-12H,5-8H2,1-2H3
InChIKeyGUDZQKXEOQEQQF-UHFFFAOYSA-N
XLogP0.97
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 122338339
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,2-diphenylethanone
CID 121073739
1-[4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone
CID 122338349
(3,4-dimethylphenyl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699139
furan-3-yl-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122338270
2-(4-chlorophenyl)-1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56699287
[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 70702690
N-[2-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122338267
[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(3-iodophenyl)methanone
CID 121073744
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone
CID 121086870
(4-butoxyphenyl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699575
[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 122338214

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one (CID 56700366) is 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCN(c2cc(-n3ccnc3)ncn2)CC1.
What is the InChIKey of 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is GUDZQKXEOQEQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-12(2)15(22)20-7-5-19(6-8-20)13-9-14(18-10-17-13)21-4-3-16-11-21/h3-4,9-12H,5-8H2,1-2H3.
What are the key properties of 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one?
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 300.37 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 56700366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).