(3,5-dimethoxyphenyl)-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone

C21H24N6O3 — CID 70702483

IUPAC(3,5-dimethoxyphenyl)-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)c1
InChIInChI=1S/C21H24N6O3/c1-15-22-4-5-27(15)20-13-19(23-14-24-20)25-6-8-26(9-7-25)21(28)16-10-17(29-2)12-18(11-16)30-3/h4-5,10-14H,6-9H2,1-3H3
InChIKeyZYDUELKOQBOIPD-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.95
Rot. Bonds5

About (3,5-dimethoxyphenyl)-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone

(3,5-dimethoxyphenyl)-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 70702483) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID70702483
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name(3,5-dimethoxyphenyl)-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)c1
InChIInChI=1S/C21H24N6O3/c1-15-22-4-5-27(15)20-13-19(23-14-24-20)25-6-8-26(9-7-25)21(28)16-10-17(29-2)12-18(11-16)30-3/h4-5,10-14H,6-9H2,1-3H3
InChIKeyZYDUELKOQBOIPD-UHFFFAOYSA-N
XLogP1.95
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(4-butoxyphenyl)-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121073791
(4-ethylphenyl)-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 56699638
[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-pentoxyphenyl)methanone
CID 122338798
[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 122338711
1,3-benzothiazol-6-yl-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122338709
[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 122338796
[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121113744
2-(4-fluorophenoxy)-1-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122338730
2-cyclopentyl-1-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122338719
(3,5-dimethoxyphenyl)-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122340967
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 7292437
(3,5-dichlorophenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113880

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 70702483) is (3,5-dimethoxyphenyl)-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone is COc1cc(OC)cc(C(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is ZYDUELKOQBOIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-15-22-4-5-27(15)20-13-19(23-14-24-20)25-6-8-26(9-7-25)21(28)16-10-17(29-2)12-18(11-16)30-3/h4-5,10-14H,6-9H2,1-3H3.
What are the key properties of (3,5-dimethoxyphenyl)-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
(3,5-dimethoxyphenyl)-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 408.46 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 70702483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).