[2-(N-ethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone

C18H22N4O — CID 109249997

IUPAC[2-(N-ethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCCN(c1ccccc1)c1ncc(C(=O)N2CCCCC2)cn1
InChIInChI=1S/C18H22N4O/c1-2-22(16-9-5-3-6-10-16)18-19-13-15(14-20-18)17(23)21-11-7-4-8-12-21/h3,5-6,9-10,13-14H,2,4,7-8,11-12H2,1H3
InChIKeyUNIQCOFTTGAUTM-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.26
Rot. Bonds4

About [2-(N-ethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone

[2-(N-ethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone (PubChem CID 109249997) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [2-(N-ethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(N-ethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
PubChem CID109249997
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[2-(N-ethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCCN(c1ccccc1)c1ncc(C(=O)N2CCCCC2)cn1
InChIInChI=1S/C18H22N4O/c1-2-22(16-9-5-3-6-10-16)18-19-13-15(14-20-18)17(23)21-11-7-4-8-12-21/h3,5-6,9-10,13-14H,2,4,7-8,11-12H2,1H3
InChIKeyUNIQCOFTTGAUTM-UHFFFAOYSA-N
XLogP3.26
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[2-(N-benzylanilino)pyrimidin-5-yl]methanone
CID 109264918
3,4-dihydro-2H-quinolin-1-yl-[2-(N-ethylanilino)pyrimidin-5-yl]methanone
CID 109266231
[5-(N-ethylanilino)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274357
[2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261104
[2-[benzyl(propan-2-yl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249970
[6-(N-ethylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112719
N-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109249620
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074
[5-(N-ethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230145
[4-[2-(diethylamino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109262135
[2-(N-methylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261118
[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249940

Frequently Asked Questions

What is the IUPAC name of [2-(N-ethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(N-ethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone (CID 109249997) is [2-(N-ethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(N-ethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(N-ethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone is CCN(c1ccccc1)c1ncc(C(=O)N2CCCCC2)cn1.
What is the InChIKey of [2-(N-ethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is UNIQCOFTTGAUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-22(16-9-5-3-6-10-16)18-19-13-15(14-20-18)17(23)21-11-7-4-8-12-21/h3,5-6,9-10,13-14H,2,4,7-8,11-12H2,1H3.
What are the key properties of [2-(N-ethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
[2-(N-ethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 310.40 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109249997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).