2-tert-butyl-4-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine

C19H32N4O — CID 71845929

IUPAC2-tert-butyl-4-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
SMILESCC(C)(C)c1nccc(N2CCC(OCCN3CCCCC3)C2)n1
InChIInChI=1S/C19H32N4O/c1-19(2,3)18-20-9-7-17(21-18)23-12-8-16(15-23)24-14-13-22-10-5-4-6-11-22/h7,9,16H,4-6,8,10-15H2,1-3H3
InChIKeyBQECICABBFDAIU-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.86
Rot. Bonds5

About 2-tert-butyl-4-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine

2-tert-butyl-4-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine (PubChem CID 71845929) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-tert-butyl-4-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
PubChem CID71845929
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name2-tert-butyl-4-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
SMILESCC(C)(C)c1nccc(N2CCC(OCCN3CCCCC3)C2)n1
InChIInChI=1S/C19H32N4O/c1-19(2,3)18-20-9-7-17(21-18)23-12-8-16(15-23)24-14-13-22-10-5-4-6-11-22/h7,9,16H,4-6,8,10-15H2,1-3H3
InChIKeyBQECICABBFDAIU-UHFFFAOYSA-N
XLogP2.86
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 2-tert-butyl-4-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine (CID 71845929) is 2-tert-butyl-4-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 2-tert-butyl-4-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine is CC(C)(C)c1nccc(N2CCC(OCCN3CCCCC3)C2)n1.
What is the InChIKey of 2-tert-butyl-4-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine?
The InChIKey is BQECICABBFDAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-19(2,3)18-20-9-7-17(21-18)23-12-8-16(15-23)24-14-13-22-10-5-4-6-11-22/h7,9,16H,4-6,8,10-15H2,1-3H3.
What are the key properties of 2-tert-butyl-4-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine?
2-tert-butyl-4-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine has a molecular weight of 332.49 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 71845929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).