3-[2-(6-butan-2-yl-2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-(quinoxalin-6-ylmethyl)propan-1-amine

C28H36N8 — CID 143237297

IUPAC3-[2-(6-butan-2-yl-2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-(quinoxalin-6-ylmethyl)propan-1-amine
SMILESCCC(C)c1cc(C2CCCCN2CCCNCc2ccc3nccnc3c2)nc(-n2ccnc2)n1
InChIInChI=1S/C28H36N8/c1-3-21(2)24-18-26(34-28(33-24)36-16-13-30-20-36)27-7-4-5-14-35(27)15-6-10-29-19-22-8-9-23-25(17-22)32-12-11-31-23/h8-9,11-13,16-18,20-21,27,29H,3-7,10,14-15,19H2,1-2H3
InChIKeyOCPIDXAGWNDZRX-UHFFFAOYSA-N
MW484.65 g/mol
LogP4.83
Rot. Bonds10

About 3-[2-(6-butan-2-yl-2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-(quinoxalin-6-ylmethyl)propan-1-amine

3-[2-(6-butan-2-yl-2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-(quinoxalin-6-ylmethyl)propan-1-amine (PubChem CID 143237297) has the molecular formula C28H36N8 and a molecular weight of 484.65 g/mol. Its IUPAC name is 3-[2-(6-butan-2-yl-2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-(quinoxalin-6-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-[2-(6-butan-2-yl-2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-(quinoxalin-6-ylmethyl)propan-1-amine
PubChem CID143237297
Molecular FormulaC28H36N8
Molecular Weight484.65 g/mol
Exact Mass484.31
IUPAC Name3-[2-(6-butan-2-yl-2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-(quinoxalin-6-ylmethyl)propan-1-amine
SMILESCCC(C)c1cc(C2CCCCN2CCCNCc2ccc3nccnc3c2)nc(-n2ccnc2)n1
InChIInChI=1S/C28H36N8/c1-3-21(2)24-18-26(34-28(33-24)36-16-13-30-20-36)27-7-4-5-14-35(27)15-6-10-29-19-22-8-9-23-25(17-22)32-12-11-31-23/h8-9,11-13,16-18,20-21,27,29H,3-7,10,14-15,19H2,1-2H3
InChIKeyOCPIDXAGWNDZRX-UHFFFAOYSA-N
XLogP4.83
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.65
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[2-[2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidin-1-yl]ethyl]ethanamine
CID 11676127
3-[(2R)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2R)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71451639
3-[(2S)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2S)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71455186
3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 60657424
N-(furan-3-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 55182404
N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 115523425
N-[(3,4-difluorophenyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43178246
2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-N-[2-[2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidin-1-yl]ethyl]ethanamine
CID 91443494
N'-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-N'-methyl-N-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 22488261
N-(3-imidazol-1-ylpropyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 61494653
2-imidazol-1-yl-6-[1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyridine
CID 110258101
N-[(1-ethylpyrrol-3-yl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 66397309

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-butan-2-yl-2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-(quinoxalin-6-ylmethyl)propan-1-amine?
The IUPAC name of 3-[2-(6-butan-2-yl-2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-(quinoxalin-6-ylmethyl)propan-1-amine (CID 143237297) is 3-[2-(6-butan-2-yl-2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-(quinoxalin-6-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-[2-(6-butan-2-yl-2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-(quinoxalin-6-ylmethyl)propan-1-amine?
The canonical SMILES for 3-[2-(6-butan-2-yl-2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-(quinoxalin-6-ylmethyl)propan-1-amine is CCC(C)c1cc(C2CCCCN2CCCNCc2ccc3nccnc3c2)nc(-n2ccnc2)n1.
What is the InChIKey of 3-[2-(6-butan-2-yl-2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-(quinoxalin-6-ylmethyl)propan-1-amine?
The InChIKey is OCPIDXAGWNDZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N8/c1-3-21(2)24-18-26(34-28(33-24)36-16-13-30-20-36)27-7-4-5-14-35(27)15-6-10-29-19-22-8-9-23-25(17-22)32-12-11-31-23/h8-9,11-13,16-18,20-21,27,29H,3-7,10,14-15,19H2,1-2H3.
What are the key properties of 3-[2-(6-butan-2-yl-2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-(quinoxalin-6-ylmethyl)propan-1-amine?
3-[2-(6-butan-2-yl-2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-(quinoxalin-6-ylmethyl)propan-1-amine has a molecular weight of 484.65 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-butan-2-yl-2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-(quinoxalin-6-ylmethyl)propan-1-amine is sourced from PubChem (CID 143237297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).