[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone

C18H25N5OS — CID 72930897

IUPAC[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
SMILESCCCCn1ccnc1C1CCCN(C(=O)c2cnc(SC)nc2)C1
InChIInChI=1S/C18H25N5OS/c1-3-4-8-22-10-7-19-16(22)14-6-5-9-23(13-14)17(24)15-11-20-18(25-2)21-12-15/h7,10-12,14H,3-6,8-9,13H2,1-2H3
InChIKeyHQEJODYJAQXTJR-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.21
Rot. Bonds6

About [3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone

[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone (PubChem CID 72930897) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is [3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
PubChem CID72930897
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
SMILESCCCCn1ccnc1C1CCCN(C(=O)c2cnc(SC)nc2)C1
InChIInChI=1S/C18H25N5OS/c1-3-4-8-22-10-7-19-16(22)14-6-5-9-23(13-14)17(24)15-11-20-18(25-2)21-12-15/h7,10-12,14H,3-6,8-9,13H2,1-2H3
InChIKeyHQEJODYJAQXTJR-UHFFFAOYSA-N
XLogP3.21
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 97278309
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 97275870
5-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97195512
[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 72879685
[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 97196287
[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 97276318
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 72867437
[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 97200492
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 97285988
1-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 97192324
1-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 97187284
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-chloro-6-fluoro-3-methylphenyl)methanone
CID 72861491

Frequently Asked Questions

What is the IUPAC name of [3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone?
The IUPAC name of [3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone (CID 72930897) is [3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone.
What is the SMILES notation for [3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone?
The canonical SMILES for [3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone is CCCCn1ccnc1C1CCCN(C(=O)c2cnc(SC)nc2)C1.
What is the InChIKey of [3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone?
The InChIKey is HQEJODYJAQXTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-3-4-8-22-10-7-19-16(22)14-6-5-9-23(13-14)17(24)15-11-20-18(25-2)21-12-15/h7,10-12,14H,3-6,8-9,13H2,1-2H3.
What are the key properties of [3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone?
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone has a molecular weight of 359.50 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone is sourced from PubChem (CID 72930897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).