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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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).