4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine

C20H27N5O — CID 19137622

IUPAC4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine
SMILESNc1c(N2CCOCC2)ncnc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H27N5O/c21-18-19(22-15-23-20(18)25-10-12-26-13-11-25)24-8-6-17(7-9-24)14-16-4-2-1-3-5-16/h1-5,15,17H,6-14,21H2
InChIKeyQTKICSXGIOSYOK-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.35
Rot. Bonds4

About 4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine

4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine (PubChem CID 19137622) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine
PubChem CID19137622
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine
SMILESNc1c(N2CCOCC2)ncnc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H27N5O/c21-18-19(22-15-23-20(18)25-10-12-26-13-11-25)24-8-6-17(7-9-24)14-16-4-2-1-3-5-16/h1-5,15,17H,6-14,21H2
InChIKeyQTKICSXGIOSYOK-UHFFFAOYSA-N
XLogP2.35
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine (CID 19137622) is 4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine is Nc1c(N2CCOCC2)ncnc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine?
The InChIKey is QTKICSXGIOSYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c21-18-19(22-15-23-20(18)25-10-12-26-13-11-25)24-8-6-17(7-9-24)14-16-4-2-1-3-5-16/h1-5,15,17H,6-14,21H2.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine?
4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine has a molecular weight of 353.47 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine is sourced from PubChem (CID 19137622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).