4,5-dimethyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine

C19H32N4 — CID 56886675

IUPAC4,5-dimethyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine
SMILESCc1ncnc(N2CCC(C3CCN(CC(C)C)CC3)C2)c1C
InChIInChI=1S/C19H32N4/c1-14(2)11-22-8-5-17(6-9-22)18-7-10-23(12-18)19-15(3)16(4)20-13-21-19/h13-14,17-18H,5-12H2,1-4H3
InChIKeyXCJDUVHYPIFGLP-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.29
Rot. Bonds4

About 4,5-dimethyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine

4,5-dimethyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine (PubChem CID 56886675) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is 4,5-dimethyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine
PubChem CID56886675
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC Name4,5-dimethyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine
SMILESCc1ncnc(N2CCC(C3CCN(CC(C)C)CC3)C2)c1C
InChIInChI=1S/C19H32N4/c1-14(2)11-22-8-5-17(6-9-22)18-7-10-23(12-18)19-15(3)16(4)20-13-21-19/h13-14,17-18H,5-12H2,1-4H3
InChIKeyXCJDUVHYPIFGLP-UHFFFAOYSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,5-dimethyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4,5-dimethyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine (CID 56886675) is 4,5-dimethyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4,5-dimethyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4,5-dimethyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine is Cc1ncnc(N2CCC(C3CCN(CC(C)C)CC3)C2)c1C.
What is the InChIKey of 4,5-dimethyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine?
The InChIKey is XCJDUVHYPIFGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4/c1-14(2)11-22-8-5-17(6-9-22)18-7-10-23(12-18)19-15(3)16(4)20-13-21-19/h13-14,17-18H,5-12H2,1-4H3.
What are the key properties of 4,5-dimethyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine?
4,5-dimethyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine has a molecular weight of 316.49 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-6-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 56886675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).