[4-(2-amino-6-phenylpyrimidin-4-yl)piperidin-1-yl]-phenylmethanone

C22H22N4O — CID 15428766

IUPAC[4-(2-amino-6-phenylpyrimidin-4-yl)piperidin-1-yl]-phenylmethanone
SMILESNc1nc(-c2ccccc2)cc(C2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C22H22N4O/c23-22-24-19(16-7-3-1-4-8-16)15-20(25-22)17-11-13-26(14-12-17)21(27)18-9-5-2-6-10-18/h1-10,15,17H,11-14H2,(H2,23,24,25)
InChIKeyDALMDUQCFJQCDF-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.75
Rot. Bonds3

About [4-(2-amino-6-phenylpyrimidin-4-yl)piperidin-1-yl]-phenylmethanone

[4-(2-amino-6-phenylpyrimidin-4-yl)piperidin-1-yl]-phenylmethanone (PubChem CID 15428766) has the molecular formula C22H22N4O and a molecular weight of 358.44 g/mol. Its IUPAC name is [4-(2-amino-6-phenylpyrimidin-4-yl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-amino-6-phenylpyrimidin-4-yl)piperidin-1-yl]-phenylmethanone
PubChem CID15428766
Molecular FormulaC22H22N4O
Molecular Weight358.44 g/mol
Exact Mass358.18
IUPAC Name[4-(2-amino-6-phenylpyrimidin-4-yl)piperidin-1-yl]-phenylmethanone
SMILESNc1nc(-c2ccccc2)cc(C2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C22H22N4O/c23-22-24-19(16-7-3-1-4-8-16)15-20(25-22)17-11-13-26(14-12-17)21(27)18-9-5-2-6-10-18/h1-10,15,17H,11-14H2,(H2,23,24,25)
InChIKeyDALMDUQCFJQCDF-UHFFFAOYSA-N
XLogP3.75
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-6-phenylpyrimidin-4-yl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2-amino-6-phenylpyrimidin-4-yl)piperidin-1-yl]-phenylmethanone (CID 15428766) is [4-(2-amino-6-phenylpyrimidin-4-yl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2-amino-6-phenylpyrimidin-4-yl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2-amino-6-phenylpyrimidin-4-yl)piperidin-1-yl]-phenylmethanone is Nc1nc(-c2ccccc2)cc(C2CCN(C(=O)c3ccccc3)CC2)n1.
What is the InChIKey of [4-(2-amino-6-phenylpyrimidin-4-yl)piperidin-1-yl]-phenylmethanone?
The InChIKey is DALMDUQCFJQCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c23-22-24-19(16-7-3-1-4-8-16)15-20(25-22)17-11-13-26(14-12-17)21(27)18-9-5-2-6-10-18/h1-10,15,17H,11-14H2,(H2,23,24,25).
What are the key properties of [4-(2-amino-6-phenylpyrimidin-4-yl)piperidin-1-yl]-phenylmethanone?
[4-(2-amino-6-phenylpyrimidin-4-yl)piperidin-1-yl]-phenylmethanone has a molecular weight of 358.44 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-6-phenylpyrimidin-4-yl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 15428766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).