2-(4-methylpiperidin-1-yl)-5-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrimidine

C21H32N6 — CID 46980502

IUPAC2-(4-methylpiperidin-1-yl)-5-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrimidine
SMILESCCC(CN1CCCC1)n1cncc1-c1cnc(N2CCC(C)CC2)nc1
InChIInChI=1S/C21H32N6/c1-3-19(15-25-8-4-5-9-25)27-16-22-14-20(27)18-12-23-21(24-13-18)26-10-6-17(2)7-11-26/h12-14,16-17,19H,3-11,15H2,1-2H3
InChIKeyOWAAAMIFACXZHI-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.62
Rot. Bonds6

About 2-(4-methylpiperidin-1-yl)-5-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrimidine

2-(4-methylpiperidin-1-yl)-5-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrimidine (PubChem CID 46980502) has the molecular formula C21H32N6 and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-5-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrimidine.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-5-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrimidine
PubChem CID46980502
Molecular FormulaC21H32N6
Molecular Weight368.53 g/mol
Exact Mass368.27
IUPAC Name2-(4-methylpiperidin-1-yl)-5-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrimidine
SMILESCCC(CN1CCCC1)n1cncc1-c1cnc(N2CCC(C)CC2)nc1
InChIInChI=1S/C21H32N6/c1-3-19(15-25-8-4-5-9-25)27-16-22-14-20(27)18-12-23-21(24-13-18)26-10-6-17(2)7-11-26/h12-14,16-17,19H,3-11,15H2,1-2H3
InChIKeyOWAAAMIFACXZHI-UHFFFAOYSA-N
XLogP3.62
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[2-[5-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazol-1-yl]ethyl]cyclopentanamine
CID 46980495
3,5-dimethyl-1-(2-methylphenyl)-4-[3-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]imidazol-4-yl]pyrazole
CID 92628720
4-[2-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)imidazol-1-yl]butyl]morpholine;hydrochloride
CID 118741788
4-[2-[5-(1-ethyl-2,3-dihydroindol-5-yl)imidazol-1-yl]butyl]morpholine
CID 46980346
4-[(2R)-2-[5-(3-chloro-1H-indol-2-yl)imidazol-1-yl]butyl]morpholine
CID 92628524
(2S)-3-[4-(dimethylamino)phenyl]-2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-ol
CID 92628525
4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]pyrimidin-2-yl]morpholine
CID 46980393
(1R)-1-[3-(1-piperidin-1-ylpropan-2-yl)imidazol-4-yl]propan-1-amine
CID 104942805
[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]boronic acid
CID 91759249
2-[2-(4-methylazepan-1-yl)pyrimidin-5-yl]ethanamine
CID 113388500
azane;2-(4-methylpiperidin-1-yl)pyrimidine
CID 70283358
4-[5-[3-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine
CID 92628541

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-5-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrimidine?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-5-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrimidine (CID 46980502) is 2-(4-methylpiperidin-1-yl)-5-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrimidine.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-5-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrimidine?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-5-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrimidine is CCC(CN1CCCC1)n1cncc1-c1cnc(N2CCC(C)CC2)nc1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-5-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrimidine?
The InChIKey is OWAAAMIFACXZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6/c1-3-19(15-25-8-4-5-9-25)27-16-22-14-20(27)18-12-23-21(24-13-18)26-10-6-17(2)7-11-26/h12-14,16-17,19H,3-11,15H2,1-2H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-5-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrimidine?
2-(4-methylpiperidin-1-yl)-5-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrimidine has a molecular weight of 368.53 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-5-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrimidine is sourced from PubChem (CID 46980502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).