4-cyclopropyl-6-ethyl-2-piperidin-4-ylpyrimidine

C14H21N3 — CID 55206429

IUPAC4-cyclopropyl-6-ethyl-2-piperidin-4-ylpyrimidine
SMILESCCc1cc(C2CC2)nc(C2CCNCC2)n1
InChIInChI=1S/C14H21N3/c1-2-12-9-13(10-3-4-10)17-14(16-12)11-5-7-15-8-6-11/h9-11,15H,2-8H2,1H3
InChIKeyXZSGHGPFINIOJZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.38
Rot. Bonds3

About 4-cyclopropyl-6-ethyl-2-piperidin-4-ylpyrimidine

4-cyclopropyl-6-ethyl-2-piperidin-4-ylpyrimidine (PubChem CID 55206429) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-cyclopropyl-6-ethyl-2-piperidin-4-ylpyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-ethyl-2-piperidin-4-ylpyrimidine
PubChem CID55206429
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name4-cyclopropyl-6-ethyl-2-piperidin-4-ylpyrimidine
SMILESCCc1cc(C2CC2)nc(C2CCNCC2)n1
InChIInChI=1S/C14H21N3/c1-2-12-9-13(10-3-4-10)17-14(16-12)11-5-7-15-8-6-11/h9-11,15H,2-8H2,1H3
InChIKeyXZSGHGPFINIOJZ-UHFFFAOYSA-N
XLogP2.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-ethyl-2-piperidin-4-ylpyrimidine?
The IUPAC name of 4-cyclopropyl-6-ethyl-2-piperidin-4-ylpyrimidine (CID 55206429) is 4-cyclopropyl-6-ethyl-2-piperidin-4-ylpyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-ethyl-2-piperidin-4-ylpyrimidine?
The canonical SMILES for 4-cyclopropyl-6-ethyl-2-piperidin-4-ylpyrimidine is CCc1cc(C2CC2)nc(C2CCNCC2)n1.
What is the InChIKey of 4-cyclopropyl-6-ethyl-2-piperidin-4-ylpyrimidine?
The InChIKey is XZSGHGPFINIOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-12-9-13(10-3-4-10)17-14(16-12)11-5-7-15-8-6-11/h9-11,15H,2-8H2,1H3.
What are the key properties of 4-cyclopropyl-6-ethyl-2-piperidin-4-ylpyrimidine?
4-cyclopropyl-6-ethyl-2-piperidin-4-ylpyrimidine has a molecular weight of 231.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-ethyl-2-piperidin-4-ylpyrimidine is sourced from PubChem (CID 55206429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).