2-(4-cyclopropylpiperidin-1-yl)-5-methoxypyrimidine

C13H19N3O — CID 123467451

IUPAC2-(4-cyclopropylpiperidin-1-yl)-5-methoxypyrimidine
SMILESCOc1cnc(N2CCC(C3CC3)CC2)nc1
InChIInChI=1S/C13H19N3O/c1-17-12-8-14-13(15-9-12)16-6-4-11(5-7-16)10-2-3-10/h8-11H,2-7H2,1H3
InChIKeyNVZOUHBUEJVWEO-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.11
Rot. Bonds3

About 2-(4-cyclopropylpiperidin-1-yl)-5-methoxypyrimidine

2-(4-cyclopropylpiperidin-1-yl)-5-methoxypyrimidine (PubChem CID 123467451) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(4-cyclopropylpiperidin-1-yl)-5-methoxypyrimidine.

Molecular Properties

Compound Name2-(4-cyclopropylpiperidin-1-yl)-5-methoxypyrimidine
PubChem CID123467451
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(4-cyclopropylpiperidin-1-yl)-5-methoxypyrimidine
SMILESCOc1cnc(N2CCC(C3CC3)CC2)nc1
InChIInChI=1S/C13H19N3O/c1-17-12-8-14-13(15-9-12)16-6-4-11(5-7-16)10-2-3-10/h8-11H,2-7H2,1H3
InChIKeyNVZOUHBUEJVWEO-UHFFFAOYSA-N
XLogP2.11
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpiperidin-1-yl)-5-methoxypyrimidine?
The IUPAC name of 2-(4-cyclopropylpiperidin-1-yl)-5-methoxypyrimidine (CID 123467451) is 2-(4-cyclopropylpiperidin-1-yl)-5-methoxypyrimidine.
What is the SMILES notation for 2-(4-cyclopropylpiperidin-1-yl)-5-methoxypyrimidine?
The canonical SMILES for 2-(4-cyclopropylpiperidin-1-yl)-5-methoxypyrimidine is COc1cnc(N2CCC(C3CC3)CC2)nc1.
What is the InChIKey of 2-(4-cyclopropylpiperidin-1-yl)-5-methoxypyrimidine?
The InChIKey is NVZOUHBUEJVWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-17-12-8-14-13(15-9-12)16-6-4-11(5-7-16)10-2-3-10/h8-11H,2-7H2,1H3.
What are the key properties of 2-(4-cyclopropylpiperidin-1-yl)-5-methoxypyrimidine?
2-(4-cyclopropylpiperidin-1-yl)-5-methoxypyrimidine has a molecular weight of 233.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylpiperidin-1-yl)-5-methoxypyrimidine is sourced from PubChem (CID 123467451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).