1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone

C18H20N8O2 — CID 121086870

IUPAC1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone
SMILESCc1ccnc(OCC(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)n1
InChIInChI=1S/C18H20N8O2/c1-14-2-3-20-18(23-14)28-11-17(27)25-8-6-24(7-9-25)15-10-16(22-12-21-15)26-5-4-19-13-26/h2-5,10,12-13H,6-9,11H2,1H3
InChIKeyMRHNVQMBBSBNNV-UHFFFAOYSA-N
MW380.41 g/mol
LogP0.49
Rot. Bonds5

About 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone

1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone (PubChem CID 121086870) has the molecular formula C18H20N8O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone.

Molecular Properties

Compound Name1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone
PubChem CID121086870
Molecular FormulaC18H20N8O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone
SMILESCc1ccnc(OCC(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)n1
InChIInChI=1S/C18H20N8O2/c1-14-2-3-20-18(23-14)28-11-17(27)25-8-6-24(7-9-25)15-10-16(22-12-21-15)26-5-4-19-13-26/h2-5,10,12-13H,6-9,11H2,1H3
InChIKeyMRHNVQMBBSBNNV-UHFFFAOYSA-N
XLogP0.49
TPSA102.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-(4-methylpyrimidin-2-yl)oxy-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 121086865
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 121086767
2-(4-chlorophenyl)-1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56699287
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 56700366
N-[2-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122338267
1-(4-ethylpiperazin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone
CID 121086723
(3,4-dimethylphenyl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699139
1-[4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone
CID 122338349
furan-3-yl-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122338270
[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 70702690
(4-butoxyphenyl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699575
1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 122349377

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone?
The IUPAC name of 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone (CID 121086870) is 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone.
What is the SMILES notation for 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone?
The canonical SMILES for 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone is Cc1ccnc(OCC(=O)N2CCN(c3cc(-n4ccnc4)ncn3)CC2)n1.
What is the InChIKey of 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone?
The InChIKey is MRHNVQMBBSBNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O2/c1-14-2-3-20-18(23-14)28-11-17(27)25-8-6-24(7-9-25)15-10-16(22-12-21-15)26-5-4-19-13-26/h2-5,10,12-13H,6-9,11H2,1H3.
What are the key properties of 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone?
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone has a molecular weight of 380.41 g/mol, XLogP of 0.49, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone is sourced from PubChem (CID 121086870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).