[2-(2,6-diethylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone

C21H28N4O — CID 109264341

IUPAC[2-(2,6-diethylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCCc1cccc(CC)c1Nc1ncc(C(=O)N2CCCC(C)C2)cn1
InChIInChI=1S/C21H28N4O/c1-4-16-9-6-10-17(5-2)19(16)24-21-22-12-18(13-23-21)20(26)25-11-7-8-15(3)14-25/h6,9-10,12-13,15H,4-5,7-8,11,14H2,1-3H3,(H,22,23,24)
InChIKeyRIMUVVGDQOPHNS-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.22
Rot. Bonds5

About [2-(2,6-diethylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone

[2-(2,6-diethylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109264341) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is [2-(2,6-diethylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2,6-diethylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109264341
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name[2-(2,6-diethylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCCc1cccc(CC)c1Nc1ncc(C(=O)N2CCCC(C)C2)cn1
InChIInChI=1S/C21H28N4O/c1-4-16-9-6-10-17(5-2)19(16)24-21-22-12-18(13-23-21)20(26)25-11-7-8-15(3)14-25/h6,9-10,12-13,15H,4-5,7-8,11,14H2,1-3H3,(H,22,23,24)
InChIKeyRIMUVVGDQOPHNS-UHFFFAOYSA-N
XLogP4.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,6-diethylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264337
[2-(2-ethoxyanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264362
[2-(3-fluoroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264391
[2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249998
[2-(4-chloroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 46226043
[2-(2,6-diethylanilino)pyrimidin-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109261596
[2-(2-methoxyethylamino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109251557
[5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196331
(6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23725328
[2-[benzyl(methyl)amino]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109256784
[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264110
3-[1-[2-(ethylamino)pyrimidine-5-carbonyl]piperidin-3-yl]benzoic acid
CID 72856458

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-diethylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(2,6-diethylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone (CID 109264341) is [2-(2,6-diethylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(2,6-diethylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(2,6-diethylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone is CCc1cccc(CC)c1Nc1ncc(C(=O)N2CCCC(C)C2)cn1.
What is the InChIKey of [2-(2,6-diethylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is RIMUVVGDQOPHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-4-16-9-6-10-17(5-2)19(16)24-21-22-12-18(13-23-21)20(26)25-11-7-8-15(3)14-25/h6,9-10,12-13,15H,4-5,7-8,11,14H2,1-3H3,(H,22,23,24).
What are the key properties of [2-(2,6-diethylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone?
[2-(2,6-diethylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 352.48 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-diethylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109264341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).