5-(2-tert-butylpyrrolidin-2-yl)pyrimidine

C12H19N3 — CID 66466514

IUPAC5-(2-tert-butylpyrrolidin-2-yl)pyrimidine
SMILESCC(C)(C)C1(c2cncnc2)CCCN1
InChIInChI=1S/C12H19N3/c1-11(2,3)12(5-4-6-15-12)10-7-13-9-14-8-10/h7-9,15H,4-6H2,1-3H3
InChIKeyOHYPDBYHJGDEBU-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.10
Rot. Bonds1

About 5-(2-tert-butylpyrrolidin-2-yl)pyrimidine

5-(2-tert-butylpyrrolidin-2-yl)pyrimidine (PubChem CID 66466514) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 5-(2-tert-butylpyrrolidin-2-yl)pyrimidine.

Molecular Properties

Compound Name5-(2-tert-butylpyrrolidin-2-yl)pyrimidine
PubChem CID66466514
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name5-(2-tert-butylpyrrolidin-2-yl)pyrimidine
SMILESCC(C)(C)C1(c2cncnc2)CCCN1
InChIInChI=1S/C12H19N3/c1-11(2,3)12(5-4-6-15-12)10-7-13-9-14-8-10/h7-9,15H,4-6H2,1-3H3
InChIKeyOHYPDBYHJGDEBU-UHFFFAOYSA-N
XLogP2.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butylpyrrolidin-2-yl)pyrimidine?
The IUPAC name of 5-(2-tert-butylpyrrolidin-2-yl)pyrimidine (CID 66466514) is 5-(2-tert-butylpyrrolidin-2-yl)pyrimidine.
What is the SMILES notation for 5-(2-tert-butylpyrrolidin-2-yl)pyrimidine?
The canonical SMILES for 5-(2-tert-butylpyrrolidin-2-yl)pyrimidine is CC(C)(C)C1(c2cncnc2)CCCN1.
What is the InChIKey of 5-(2-tert-butylpyrrolidin-2-yl)pyrimidine?
The InChIKey is OHYPDBYHJGDEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-11(2,3)12(5-4-6-15-12)10-7-13-9-14-8-10/h7-9,15H,4-6H2,1-3H3.
What are the key properties of 5-(2-tert-butylpyrrolidin-2-yl)pyrimidine?
5-(2-tert-butylpyrrolidin-2-yl)pyrimidine has a molecular weight of 205.31 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butylpyrrolidin-2-yl)pyrimidine is sourced from PubChem (CID 66466514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).