5-(3,4-dimethoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine

C21H25N5O2 — CID 20779081

IUPAC5-(3,4-dimethoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine
SMILESCOc1ccc(-c2cncnc2N2CCC(c3nc[nH]c3C)CC2)cc1OC
InChIInChI=1S/C21H25N5O2/c1-14-20(24-13-23-14)15-6-8-26(9-7-15)21-17(11-22-12-25-21)16-4-5-18(27-2)19(10-16)28-3/h4-5,10-13,15H,6-9H2,1-3H3,(H,23,24)
InChIKeySVZYGOVATCSHMU-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.58
Rot. Bonds5

About 5-(3,4-dimethoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine

5-(3,4-dimethoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine (PubChem CID 20779081) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine
PubChem CID20779081
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name5-(3,4-dimethoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine
SMILESCOc1ccc(-c2cncnc2N2CCC(c3nc[nH]c3C)CC2)cc1OC
InChIInChI=1S/C21H25N5O2/c1-14-20(24-13-23-14)15-6-8-26(9-7-15)21-17(11-22-12-25-21)16-4-5-18(27-2)19(10-16)28-3/h4-5,10-13,15H,6-9H2,1-3H3,(H,23,24)
InChIKeySVZYGOVATCSHMU-UHFFFAOYSA-N
XLogP3.58
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,4-dimethoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538783
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
4-[4-(4-Fluorophenyl)-1-(Piperidin-4-Yl)-1h-Imidazol-5-Yl]-2-(2-Methoxyphenoxy)pyrimidine
CID 15872406
6-Chloro-2-(2-Fluoro-4,5-Dimethoxyphenyl)-N-(Piperidin-4-Ylmethyl)-3h-Imidazo[4,5-B]pyridin-7-Amine
CID 92045136
5-[3-(3,4-Dimethoxy-5-pyridin-4-ylphenyl)prop-1-ynyl]-6-ethylpyrimidine-2,4-diamine
CID 124081248
N~6~-[2-(3,4-dimethoxyphenyl)ethyl]-9H-purine-2,6-diamine
CID 16409604
N-benzyl-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-3-amine
CID 171129
2-(3,4-Dimethoxy-phenyl)-1H-imidazo[4,5-c]pyridine
CID 9551687
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine
CID 9896804
4-Methoxybenzyl-[4-[2-piperidin-4-yl-5-(3-trifluoromethylphenyl)-3H-imidazol-4-yl]-pyrimidin-2-yl]amine
CID 10529636
4-(4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl)pyridine
CID 10639924
6-(3,4-Dimethoxyphenyl)-4-(4-methylpiperidin-1-yl)pteridin-2-amine
CID 11337983

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine (CID 20779081) is 5-(3,4-dimethoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine is COc1ccc(-c2cncnc2N2CCC(c3nc[nH]c3C)CC2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine?
The InChIKey is SVZYGOVATCSHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-14-20(24-13-23-14)15-6-8-26(9-7-15)21-17(11-22-12-25-21)16-4-5-18(27-2)19(10-16)28-3/h4-5,10-13,15H,6-9H2,1-3H3,(H,23,24).
What are the key properties of 5-(3,4-dimethoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine?
5-(3,4-dimethoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine has a molecular weight of 379.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 20779081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).