5-tert-butyl-2-(piperidin-1-ylmethyl)pyrimidine

C14H23N3 — CID 158164356

IUPAC5-tert-butyl-2-(piperidin-1-ylmethyl)pyrimidine
SMILESCC(C)(C)c1cnc(CN2CCCCC2)nc1
InChIInChI=1S/C14H23N3/c1-14(2,3)12-9-15-13(16-10-12)11-17-7-5-4-6-8-17/h9-10H,4-8,11H2,1-3H3
InChIKeyXJTHYOZWEDVPEI-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.76
Rot. Bonds2

About 5-tert-butyl-2-(piperidin-1-ylmethyl)pyrimidine

5-tert-butyl-2-(piperidin-1-ylmethyl)pyrimidine (PubChem CID 158164356) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 5-tert-butyl-2-(piperidin-1-ylmethyl)pyrimidine.

Molecular Properties

Compound Name5-tert-butyl-2-(piperidin-1-ylmethyl)pyrimidine
PubChem CID158164356
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name5-tert-butyl-2-(piperidin-1-ylmethyl)pyrimidine
SMILESCC(C)(C)c1cnc(CN2CCCCC2)nc1
InChIInChI=1S/C14H23N3/c1-14(2,3)12-9-15-13(16-10-12)11-17-7-5-4-6-8-17/h9-10H,4-8,11H2,1-3H3
InChIKeyXJTHYOZWEDVPEI-UHFFFAOYSA-N
XLogP2.76
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(piperidin-1-ylmethyl)pyrimidine?
The IUPAC name of 5-tert-butyl-2-(piperidin-1-ylmethyl)pyrimidine (CID 158164356) is 5-tert-butyl-2-(piperidin-1-ylmethyl)pyrimidine.
What is the SMILES notation for 5-tert-butyl-2-(piperidin-1-ylmethyl)pyrimidine?
The canonical SMILES for 5-tert-butyl-2-(piperidin-1-ylmethyl)pyrimidine is CC(C)(C)c1cnc(CN2CCCCC2)nc1.
What is the InChIKey of 5-tert-butyl-2-(piperidin-1-ylmethyl)pyrimidine?
The InChIKey is XJTHYOZWEDVPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-14(2,3)12-9-15-13(16-10-12)11-17-7-5-4-6-8-17/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 5-tert-butyl-2-(piperidin-1-ylmethyl)pyrimidine?
5-tert-butyl-2-(piperidin-1-ylmethyl)pyrimidine has a molecular weight of 233.36 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(piperidin-1-ylmethyl)pyrimidine is sourced from PubChem (CID 158164356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).