1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one

C17H24N6O — CID 56922287

IUPAC1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(c2cc(-n3cnc(C)c3C)ncn2)CC1
InChIInChI=1S/C17H24N6O/c1-4-5-17(24)22-8-6-21(7-9-22)15-10-16(19-11-18-15)23-12-20-13(2)14(23)3/h10-12H,4-9H2,1-3H3
InChIKeyVBVJMIPQXIQSCW-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.73
Rot. Bonds4

About 1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one

1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one (PubChem CID 56922287) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
PubChem CID56922287
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(c2cc(-n3cnc(C)c3C)ncn2)CC1
InChIInChI=1S/C17H24N6O/c1-4-5-17(24)22-8-6-21(7-9-22)15-10-16(19-11-18-15)23-12-20-13(2)14(23)3/h10-12H,4-9H2,1-3H3
InChIKeyVBVJMIPQXIQSCW-UHFFFAOYSA-N
XLogP1.73
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-(6-(4,5-dimethyl-1H-imidazol-1-yl)-2-methylpyrimidin-4-yl)piperazin-1-yl)-2,2-dimethylpropan-1-one
CID 70703318
1-(4-(6-(4,5-dimethyl-1H-imidazol-1-yl)-2-methylpyrimidin-4-yl)piperazin-1-yl)propan-1-one
CID 70703751
1-(4-(6-(4,5-dimethyl-1H-imidazol-1-yl)-2-methylpyrimidin-4-yl)piperazin-1-yl)ethanone
CID 70703782
1-(4-(6-(4,5-dimethyl-1H-imidazol-1-yl)-2-methylpyrimidin-4-yl)piperazin-1-yl)butan-1-one
CID 70703947
4-(4-Propionyl-1-piperazinyl)-6-(1-pyrrolidinyl)pyrimidine
CID 45544727
4-[4-(2,2-Dimethylpropanoyl)-1-piperazinyl]-6-(1-pyrrolidinyl)pyrimidine
CID 45544792
1-(4-(6-(1H-imidazol-1-yl)-2-methylpyrimidin-4-yl)piperazin-1-yl)-2-methylpropan-1-one
CID 56699838
1-(4-(6-(1H-imidazol-1-yl)pyrimidin-4-yl)piperazin-1-yl)-2-methylpropan-1-one
CID 56700366
N-(2-((6-(4,5-dimethyl-1H-imidazol-1-yl)pyrimidin-4-yl)amino)ethyl)pivalamide
CID 56919948
(3S)-1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-(2-methylimidazol-1-yl)butan-1-one
CID 164638385
1-[4-[2-[3-[(Z)-3,3-difluoro-2-(methylideneamino)but-1-enyl]-2-methylimidazol-4-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 139359844
N-(2-((6-(4,5-dimethyl-1H-imidazol-1-yl)pyrimidin-4-yl)amino)ethyl)-3,3,3-trifluoropropanamide
CID 122328793

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one (CID 56922287) is 1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(c2cc(-n3cnc(C)c3C)ncn2)CC1.
What is the InChIKey of 1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one?
The InChIKey is VBVJMIPQXIQSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-4-5-17(24)22-8-6-21(7-9-22)15-10-16(19-11-18-15)23-12-20-13(2)14(23)3/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one?
1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one has a molecular weight of 328.42 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 56922287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).