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

C17H28N4O — CID 84590089

IUPAC4,6-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
SMILESCc1cc(C)nc(N2CCC(OCCN3CCCCC3)C2)n1
InChIInChI=1S/C17H28N4O/c1-14-12-15(2)19-17(18-14)21-9-6-16(13-21)22-11-10-20-7-4-3-5-8-20/h12,16H,3-11,13H2,1-2H3
InChIKeyHNDQIBRRLBJISV-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.17
Rot. Bonds5

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

4,6-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine (PubChem CID 84590089) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 4,6-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
PubChem CID84590089
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name4,6-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
SMILESCc1cc(C)nc(N2CCC(OCCN3CCCCC3)C2)n1
InChIInChI=1S/C17H28N4O/c1-14-12-15(2)19-17(18-14)21-9-6-16(13-21)22-11-10-20-7-4-3-5-8-20/h12,16H,3-11,13H2,1-2H3
InChIKeyHNDQIBRRLBJISV-UHFFFAOYSA-N
XLogP2.17
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4,6-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine (CID 84590089) is 4,6-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine is Cc1cc(C)nc(N2CCC(OCCN3CCCCC3)C2)n1.
What is the InChIKey of 4,6-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine?
The InChIKey is HNDQIBRRLBJISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-14-12-15(2)19-17(18-14)21-9-6-16(13-21)22-11-10-20-7-4-3-5-8-20/h12,16H,3-11,13H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine?
4,6-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine has a molecular weight of 304.44 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 84590089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).