[2-(2-ethoxyanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone

C19H24N4O2 — CID 109264362

IUPAC[2-(2-ethoxyanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCCOc1ccccc1Nc1ncc(C(=O)N2CCCC(C)C2)cn1
InChIInChI=1S/C19H24N4O2/c1-3-25-17-9-5-4-8-16(17)22-19-20-11-15(12-21-19)18(24)23-10-6-7-14(2)13-23/h4-5,8-9,11-12,14H,3,6-7,10,13H2,1-2H3,(H,20,21,22)
InChIKeyLHMPJDMDLWVRJL-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.49
Rot. Bonds5

About [2-(2-ethoxyanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone

[2-(2-ethoxyanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109264362) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109264362
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[2-(2-ethoxyanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCCOc1ccccc1Nc1ncc(C(=O)N2CCCC(C)C2)cn1
InChIInChI=1S/C19H24N4O2/c1-3-25-17-9-5-4-8-16(17)22-19-20-11-15(12-21-19)18(24)23-10-6-7-14(2)13-23/h4-5,8-9,11-12,14H,3,6-7,10,13H2,1-2H3,(H,20,21,22)
InChIKeyLHMPJDMDLWVRJL-UHFFFAOYSA-N
XLogP3.49
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,6-diethylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264341
[4-(2-ethoxyanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218137
N-(2-ethoxyphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109056550
[2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264337
N-cycloheptyl-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109263129
N-(2-ethoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150085
[2-(4-chloroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 46226043
ethyl 4-[2-(2-methoxyanilino)pyrimidine-5-carbonyl]piperazine-1-carboxylate
CID 109261901
[2-(3-fluoroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264391
[5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196331
[2-(2-methoxyethylamino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109251557
(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 669383

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(2-ethoxyanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone (CID 109264362) is [2-(2-ethoxyanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(2-ethoxyanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(2-ethoxyanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone is CCOc1ccccc1Nc1ncc(C(=O)N2CCCC(C)C2)cn1.
What is the InChIKey of [2-(2-ethoxyanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is LHMPJDMDLWVRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-25-17-9-5-4-8-16(17)22-19-20-11-15(12-21-19)18(24)23-10-6-7-14(2)13-23/h4-5,8-9,11-12,14H,3,6-7,10,13H2,1-2H3,(H,20,21,22).
What are the key properties of [2-(2-ethoxyanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone?
[2-(2-ethoxyanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 340.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109264362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).