[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

C24H30N6O4 — CID 122344995

IUPAC[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(c3cc(-n4cnc(C)c4C)nc(C)n3)CC2)cc(OC)c1OC
InChIInChI=1S/C24H30N6O4/c1-15-16(2)30(14-25-15)22-13-21(26-17(3)27-22)28-7-9-29(10-8-28)24(31)18-11-19(32-4)23(34-6)20(12-18)33-5/h11-14H,7-10H2,1-6H3
InChIKeyWVOYWISCEOIJDN-UHFFFAOYSA-N
MW466.54 g/mol
LogP2.58
Rot. Bonds6

About [4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 122344995) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is [4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID122344995
Molecular FormulaC24H30N6O4
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC Name[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(c3cc(-n4cnc(C)c4C)nc(C)n3)CC2)cc(OC)c1OC
InChIInChI=1S/C24H30N6O4/c1-15-16(2)30(14-25-15)22-13-21(26-17(3)27-22)28-7-9-29(10-8-28)24(31)18-11-19(32-4)23(34-6)20(12-18)33-5/h11-14H,7-10H2,1-6H3
InChIKeyWVOYWISCEOIJDN-UHFFFAOYSA-N
XLogP2.58
TPSA94.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(4-chlorophenyl)-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 56923129
[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 122345134
1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 70703318
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 122345125
(E)-1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 122345414
(3,4-dimethoxyphenyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748559
cyclohexyl-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 56920979
[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 122345337
(3,4-dimethoxyphenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748322
[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 122345153
[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2-nitrophenyl)methanone
CID 122345301
[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 108754711

Frequently Asked Questions

What is the IUPAC name of [4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 122344995) is [4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCN(c3cc(-n4cnc(C)c4C)nc(C)n3)CC2)cc(OC)c1OC.
What is the InChIKey of [4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is WVOYWISCEOIJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4/c1-15-16(2)30(14-25-15)22-13-21(26-17(3)27-22)28-7-9-29(10-8-28)24(31)18-11-19(32-4)23(34-6)20(12-18)33-5/h11-14H,7-10H2,1-6H3.
What are the key properties of [4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 466.54 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 122344995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).