2-[[6-(cyclohexyloxymethyl)-2-imidazol-1-ylpyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methylpentanamide

C25H40N6O3 — CID 23568629

IUPAC2-[[6-(cyclohexyloxymethyl)-2-imidazol-1-ylpyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methylpentanamide
SMILESCCOCCCNC(=O)C(CC(C)C)Nc1cc(COC2CCCCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C25H40N6O3/c1-4-33-14-8-11-27-24(32)22(15-19(2)3)29-23-16-20(17-34-21-9-6-5-7-10-21)28-25(30-23)31-13-12-26-18-31/h12-13,16,18-19,21-22H,4-11,14-15,17H2,1-3H3,(H,27,32)(H,28,29,30)
InChIKeyFUBOPCPVXYOSCJ-UHFFFAOYSA-N
MW472.63 g/mol
LogP3.88
Rot. Bonds14

About 2-[[6-(cyclohexyloxymethyl)-2-imidazol-1-ylpyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methylpentanamide

2-[[6-(cyclohexyloxymethyl)-2-imidazol-1-ylpyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methylpentanamide (PubChem CID 23568629) has the molecular formula C25H40N6O3 and a molecular weight of 472.63 g/mol. Its IUPAC name is 2-[[6-(cyclohexyloxymethyl)-2-imidazol-1-ylpyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-[[6-(cyclohexyloxymethyl)-2-imidazol-1-ylpyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methylpentanamide
PubChem CID23568629
Molecular FormulaC25H40N6O3
Molecular Weight472.63 g/mol
Exact Mass472.32
IUPAC Name2-[[6-(cyclohexyloxymethyl)-2-imidazol-1-ylpyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methylpentanamide
SMILESCCOCCCNC(=O)C(CC(C)C)Nc1cc(COC2CCCCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C25H40N6O3/c1-4-33-14-8-11-27-24(32)22(15-19(2)3)29-23-16-20(17-34-21-9-6-5-7-10-21)28-25(30-23)31-13-12-26-18-31/h12-13,16,18-19,21-22H,4-11,14-15,17H2,1-3H3,(H,27,32)(H,28,29,30)
InChIKeyFUBOPCPVXYOSCJ-UHFFFAOYSA-N
XLogP3.88
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-cyclohexyl-N-(3-ethoxypropyl)-2-[[2-imidazol-1-yl-6-(2-phenylethyl)pyrimidin-4-yl]amino]propanamide
CID 58630544
2-[(6-butyl-2-imidazol-1-ylpyrimidin-4-yl)amino]-3-cyclopropyl-N-(3-ethoxypropyl)propanamide
CID 23568623
(2S)-2-[[2-chloro-6-(3-trimethylsilylpropyl)pyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methylpentanamide
CID 58630542
2-[(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)amino]-4,4-dimethyl-N-(3-methylsulfanylpropyl)pentanamide
CID 22487591
N-(3-ethoxypropyl)-4-methyl-2-[(6-propyl-2-quinolin-3-ylpyrimidin-4-yl)amino]pentanamide
CID 23568731
(2S)-2-[[2-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-6-butylpyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methylpentanamide;(2S)-2-[[6-butyl-2-[4-(4-isocyanophenyl)-1,4-diazepan-1-yl]pyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methylpentanamide;(2S)-2-[[6-butyl-2-[4-(4-nitrophenyl)-1,4-diazepan-1-yl]pyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methylpentanamide
CID 160851213
(2R)-N-(3-cyclohexyloxypropyl)-2-(2-methylimidazol-1-yl)propanamide
CID 126448035
2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80818639
1-(3-cyclohexyloxypropyl)-3-[(2-imidazol-1-ylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111397048
N-(3-cyclohexyloxypropyl)-2-ethoxyacetamide
CID 60668714
(2R)-3-cyclohexyl-2-[[6-imidazol-1-yl-2-(3-methoxypropylamino)pyrimidin-4-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 59122142
N-(3-cyclohexyloxypropyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 46613224

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(cyclohexyloxymethyl)-2-imidazol-1-ylpyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methylpentanamide?
The IUPAC name of 2-[[6-(cyclohexyloxymethyl)-2-imidazol-1-ylpyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methylpentanamide (CID 23568629) is 2-[[6-(cyclohexyloxymethyl)-2-imidazol-1-ylpyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methylpentanamide.
What is the SMILES notation for 2-[[6-(cyclohexyloxymethyl)-2-imidazol-1-ylpyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methylpentanamide?
The canonical SMILES for 2-[[6-(cyclohexyloxymethyl)-2-imidazol-1-ylpyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methylpentanamide is CCOCCCNC(=O)C(CC(C)C)Nc1cc(COC2CCCCC2)nc(-n2ccnc2)n1.
What is the InChIKey of 2-[[6-(cyclohexyloxymethyl)-2-imidazol-1-ylpyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methylpentanamide?
The InChIKey is FUBOPCPVXYOSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N6O3/c1-4-33-14-8-11-27-24(32)22(15-19(2)3)29-23-16-20(17-34-21-9-6-5-7-10-21)28-25(30-23)31-13-12-26-18-31/h12-13,16,18-19,21-22H,4-11,14-15,17H2,1-3H3,(H,27,32)(H,28,29,30).
What are the key properties of 2-[[6-(cyclohexyloxymethyl)-2-imidazol-1-ylpyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methylpentanamide?
2-[[6-(cyclohexyloxymethyl)-2-imidazol-1-ylpyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methylpentanamide has a molecular weight of 472.63 g/mol, XLogP of 3.88, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(cyclohexyloxymethyl)-2-imidazol-1-ylpyrimidin-4-yl]amino]-N-(3-ethoxypropyl)-4-methylpentanamide is sourced from PubChem (CID 23568629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).