2-piperidin-1-yl-5-propylpyrimidine

C12H19N3 — CID 123831355

IUPAC2-piperidin-1-yl-5-propylpyrimidine
SMILESCCCc1cnc(N2CCCCC2)nc1
InChIInChI=1S/C12H19N3/c1-2-6-11-9-13-12(14-10-11)15-7-4-3-5-8-15/h9-10H,2-8H2,1H3
InChIKeyGKZLBCLKGZPWMZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.42
Rot. Bonds3

About 2-piperidin-1-yl-5-propylpyrimidine

2-piperidin-1-yl-5-propylpyrimidine (PubChem CID 123831355) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-piperidin-1-yl-5-propylpyrimidine.

Molecular Properties

Compound Name2-piperidin-1-yl-5-propylpyrimidine
PubChem CID123831355
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name2-piperidin-1-yl-5-propylpyrimidine
SMILESCCCc1cnc(N2CCCCC2)nc1
InChIInChI=1S/C12H19N3/c1-2-6-11-9-13-12(14-10-11)15-7-4-3-5-8-15/h9-10H,2-8H2,1H3
InChIKeyGKZLBCLKGZPWMZ-UHFFFAOYSA-N
XLogP2.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5-propylpyrimidine?
The IUPAC name of 2-piperidin-1-yl-5-propylpyrimidine (CID 123831355) is 2-piperidin-1-yl-5-propylpyrimidine.
What is the SMILES notation for 2-piperidin-1-yl-5-propylpyrimidine?
The canonical SMILES for 2-piperidin-1-yl-5-propylpyrimidine is CCCc1cnc(N2CCCCC2)nc1.
What is the InChIKey of 2-piperidin-1-yl-5-propylpyrimidine?
The InChIKey is GKZLBCLKGZPWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-6-11-9-13-12(14-10-11)15-7-4-3-5-8-15/h9-10H,2-8H2,1H3.
What are the key properties of 2-piperidin-1-yl-5-propylpyrimidine?
2-piperidin-1-yl-5-propylpyrimidine has a molecular weight of 205.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5-propylpyrimidine is sourced from PubChem (CID 123831355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).