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

C20H26N4O — CID 109299227

IUPAC(4-methylpiperidin-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
SMILESCC1CCN(C(=O)c2ccnc(Nc3ccccc3C(C)C)n2)CC1
InChIInChI=1S/C20H26N4O/c1-14(2)16-6-4-5-7-17(16)22-20-21-11-8-18(23-20)19(25)24-12-9-15(3)10-13-24/h4-8,11,14-15H,9-10,12-13H2,1-3H3,(H,21,22,23)
InChIKeyGHPJMDXWEBMFQO-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.22
Rot. Bonds4

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

(4-methylpiperidin-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone (PubChem CID 109299227) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
PubChem CID109299227
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name(4-methylpiperidin-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
SMILESCC1CCN(C(=O)c2ccnc(Nc3ccccc3C(C)C)n2)CC1
InChIInChI=1S/C20H26N4O/c1-14(2)16-6-4-5-7-17(16)22-20-21-11-8-18(23-20)19(25)24-12-9-15(3)10-13-24/h4-8,11,14-15H,9-10,12-13H2,1-3H3,(H,21,22,23)
InChIKeyGHPJMDXWEBMFQO-UHFFFAOYSA-N
XLogP4.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-methylpiperidin-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-4-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

4-[2-(2-propan-2-ylanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302903
[2-(2-chloroanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299236
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299223
[2-(2-methoxyanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299249
(4-methylpiperidin-1-yl)-[5-(2-propan-2-ylanilino)pyrazin-2-yl]methanone
CID 109275097
N-cyclopentyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109298132
[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
[2-(2-bromoanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302335
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302276
4-methyl-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 108987988
(3-methylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109312815

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone (CID 109299227) is (4-methylpiperidin-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone is CC1CCN(C(=O)c2ccnc(Nc3ccccc3C(C)C)n2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone?
The InChIKey is GHPJMDXWEBMFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14(2)16-6-4-5-7-17(16)22-20-21-11-8-18(23-20)19(25)24-12-9-15(3)10-13-24/h4-8,11,14-15H,9-10,12-13H2,1-3H3,(H,21,22,23).
What are the key properties of (4-methylpiperidin-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone?
(4-methylpiperidin-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone has a molecular weight of 338.45 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109299227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).