(3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone

C23H31N5O — CID 109334084

IUPAC(3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(C)C2)nc(Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C23H31N5O/c1-17-7-6-14-28(16-17)22(29)21-15-18(2)24-23(26-21)25-19-8-10-20(11-9-19)27-12-4-3-5-13-27/h8-11,15,17H,3-7,12-14,16H2,1-2H3,(H,24,25,26)
InChIKeyXQZFFLCXWFMRHK-UHFFFAOYSA-N
MW393.54 g/mol
LogP4.39
Rot. Bonds4

About (3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone

(3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone (PubChem CID 109334084) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone
PubChem CID109334084
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name(3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(C)C2)nc(Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C23H31N5O/c1-17-7-6-14-28(16-17)22(29)21-15-18(2)24-23(26-21)25-19-8-10-20(11-9-19)27-12-4-3-5-13-27/h8-11,15,17H,3-7,12-14,16H2,1-2H3,(H,24,25,26)
InChIKeyXQZFFLCXWFMRHK-UHFFFAOYSA-N
XLogP4.39
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze (3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-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

[2-(4-chloroanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334050
[6-methyl-2-(3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334024
[2-(3-chloro-4-methoxyanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334057
[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109319726
(3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109321612
[2-(4-chloro-2-methylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334053
[2-(2-chloro-4,6-dimethylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334056
[2-(5-chloro-2-methylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334052
(3-methylpiperidin-1-yl)-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone
CID 109240763
6-methyl-2-(3-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109333992
6-methyl-2-(4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109335106
[2-[4-(dimethylamino)anilino]-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321866

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone (CID 109334084) is (3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone is Cc1cc(C(=O)N2CCCC(C)C2)nc(Nc2ccc(N3CCCCC3)cc2)n1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone?
The InChIKey is XQZFFLCXWFMRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-17-7-6-14-28(16-17)22(29)21-15-18(2)24-23(26-21)25-19-8-10-20(11-9-19)27-12-4-3-5-13-27/h8-11,15,17H,3-7,12-14,16H2,1-2H3,(H,24,25,26).
What are the key properties of (3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone?
(3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone has a molecular weight of 393.54 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109334084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).