2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine

C17H23N5 — CID 167777884

IUPAC2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine
SMILESc1cn(-c2ccnc(N3CCC(C4CCCCC4)C3)n2)cn1
InChIInChI=1S/C17H23N5/c1-2-4-14(5-3-1)15-7-10-21(12-15)17-19-8-6-16(20-17)22-11-9-18-13-22/h6,8-9,11,13-15H,1-5,7,10,12H2
InChIKeyNEOUEVGDAUONOS-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.07
Rot. Bonds3

About 2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine

2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine (PubChem CID 167777884) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine.

Molecular Properties

Compound Name2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine
PubChem CID167777884
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine
SMILESc1cn(-c2ccnc(N3CCC(C4CCCCC4)C3)n2)cn1
InChIInChI=1S/C17H23N5/c1-2-4-14(5-3-1)15-7-10-21(12-15)17-19-8-6-16(20-17)22-11-9-18-13-22/h6,8-9,11,13-15H,1-5,7,10,12H2
InChIKeyNEOUEVGDAUONOS-UHFFFAOYSA-N
XLogP3.07
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-imidazol-1-yl-2-piperidin-1-ylpyrimidine
CID 3071752
4-imidazol-1-yl-2-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 167960881
2-[(3S)-1-cyclohexylpiperidin-3-yl]-6-imidazol-1-ylpyridine
CID 95838629
2-imidazol-1-yl-6-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]pyrazine
CID 95815844
2-[2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
CID 110267895
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-methylpyrimidine-5-carboxylic acid
CID 83181663
2-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-4,6-dimethylpyrimidine
CID 95829311
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 115563016
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885128
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-2-carboxylic acid
CID 43620518
4-methyl-2-[(3S)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine
CID 42394785

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine?
The IUPAC name of 2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine (CID 167777884) is 2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine.
What is the SMILES notation for 2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine?
The canonical SMILES for 2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine is c1cn(-c2ccnc(N3CCC(C4CCCCC4)C3)n2)cn1.
What is the InChIKey of 2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine?
The InChIKey is NEOUEVGDAUONOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-2-4-14(5-3-1)15-7-10-21(12-15)17-19-8-6-16(20-17)22-11-9-18-13-22/h6,8-9,11,13-15H,1-5,7,10,12H2.
What are the key properties of 2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine?
2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine has a molecular weight of 297.41 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexylpyrrolidin-1-yl)-4-imidazol-1-ylpyrimidine is sourced from PubChem (CID 167777884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).