[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone

C19H24N4O — CID 109299223

IUPAC[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCCc1ccccc1Nc1nccc(C(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C19H24N4O/c1-3-15-6-4-5-7-16(15)21-19-20-11-8-17(22-19)18(24)23-12-9-14(2)10-13-23/h4-8,11,14H,3,9-10,12-13H2,1-2H3,(H,20,21,22)
InChIKeyUKVNJTOHWNKRDS-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.65
Rot. Bonds4

About [2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone

[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109299223) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109299223
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCCc1ccccc1Nc1nccc(C(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C19H24N4O/c1-3-15-6-4-5-7-16(15)21-19-20-11-8-17(22-19)18(24)23-12-9-14(2)10-13-23/h4-8,11,14H,3,9-10,12-13H2,1-2H3,(H,20,21,22)
InChIKeyUKVNJTOHWNKRDS-UHFFFAOYSA-N
XLogP3.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302276
[2-(2-chloroanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299236
(4-methylpiperidin-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109299227
[2-(2-methoxyanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299249
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109309526
[5-(2-ethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183327
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299156
[4,6-bis(2-ethylanilino)-1,3,5-triazin-2-yl] 4-methylpiperidine-1-carbodithioate
CID 4904825
[2-(3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299212
[2-(cycloheptylamino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299197
(3-methylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109312815
(4-ethylpiperazin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109302632

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 109299223) is [2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone is CCc1ccccc1Nc1nccc(C(=O)N2CCC(C)CC2)n1.
What is the InChIKey of [2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is UKVNJTOHWNKRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-15-6-4-5-7-16(15)21-19-20-11-8-17(22-19)18(24)23-12-9-14(2)10-13-23/h4-8,11,14H,3,9-10,12-13H2,1-2H3,(H,20,21,22).
What are the key properties of [2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 324.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109299223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).