4-(4-benzylpiperidin-1-yl)-6-phenoxypyrimidin-5-amine

C22H24N4O — CID 19139509

IUPAC4-(4-benzylpiperidin-1-yl)-6-phenoxypyrimidin-5-amine
SMILESNc1c(Oc2ccccc2)ncnc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N4O/c23-20-21(24-16-25-22(20)27-19-9-5-2-6-10-19)26-13-11-18(12-14-26)15-17-7-3-1-4-8-17/h1-10,16,18H,11-15,23H2
InChIKeyMLJKCDJSHQPVTN-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.31
Rot. Bonds5

About 4-(4-benzylpiperidin-1-yl)-6-phenoxypyrimidin-5-amine

4-(4-benzylpiperidin-1-yl)-6-phenoxypyrimidin-5-amine (PubChem CID 19139509) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-6-phenoxypyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-6-phenoxypyrimidin-5-amine
PubChem CID19139509
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4-(4-benzylpiperidin-1-yl)-6-phenoxypyrimidin-5-amine
SMILESNc1c(Oc2ccccc2)ncnc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N4O/c23-20-21(24-16-25-22(20)27-19-9-5-2-6-10-19)26-13-11-18(12-14-26)15-17-7-3-1-4-8-17/h1-10,16,18H,11-15,23H2
InChIKeyMLJKCDJSHQPVTN-UHFFFAOYSA-N
XLogP4.31
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-benzylpiperidin-1-yl)-6-(5-bromoquinolin-8-yl)oxypyrimidin-5-amine
CID 19139513
4-(4-benzylpiperidin-1-yl)-6-morpholin-4-ylpyrimidin-5-amine
CID 19137622
4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19152572
4-(4-benzylpiperidin-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
CID 19139445
4-(4-benzylpiperidin-1-yl)pyrimidin-5-amine
CID 79918295
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenoxypyrimidin-5-amine
CID 19147484
4-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenoxypyrimidin-5-amine
CID 19152575
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
6-(4-benzylpiperidin-1-yl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine
CID 22544274
4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine
CID 19138635
N'-[5-amino-6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19139500
6-(4-benzylpiperidin-1-yl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine
CID 19139421

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-6-phenoxypyrimidin-5-amine?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-6-phenoxypyrimidin-5-amine (CID 19139509) is 4-(4-benzylpiperidin-1-yl)-6-phenoxypyrimidin-5-amine.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-6-phenoxypyrimidin-5-amine?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-6-phenoxypyrimidin-5-amine is Nc1c(Oc2ccccc2)ncnc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-6-phenoxypyrimidin-5-amine?
The InChIKey is MLJKCDJSHQPVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c23-20-21(24-16-25-22(20)27-19-9-5-2-6-10-19)26-13-11-18(12-14-26)15-17-7-3-1-4-8-17/h1-10,16,18H,11-15,23H2.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-6-phenoxypyrimidin-5-amine?
4-(4-benzylpiperidin-1-yl)-6-phenoxypyrimidin-5-amine has a molecular weight of 360.46 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-6-phenoxypyrimidin-5-amine is sourced from PubChem (CID 19139509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).