2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)pyrimidine-4-carboxamide

C22H31N5O — CID 109362271

IUPAC2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(N3CCC(C)CC3)cc2)cc(C(=O)NCC(C)C)n1
InChIInChI=1S/C22H31N5O/c1-15(2)14-23-22(28)20-13-21(25-17(4)24-20)26-18-5-7-19(8-6-18)27-11-9-16(3)10-12-27/h5-8,13,15-16H,9-12,14H2,1-4H3,(H,23,28)(H,24,25,26)
InChIKeyZQXKTPCSJPFHLF-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.15
Rot. Bonds6

About 2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)pyrimidine-4-carboxamide

2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)pyrimidine-4-carboxamide (PubChem CID 109362271) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
PubChem CID109362271
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(N3CCC(C)CC3)cc2)cc(C(=O)NCC(C)C)n1
InChIInChI=1S/C22H31N5O/c1-15(2)14-23-22(28)20-13-21(25-17(4)24-20)26-18-5-7-19(8-6-18)27-11-9-16(3)10-12-27/h5-8,13,15-16H,9-12,14H2,1-4H3,(H,23,28)(H,24,25,26)
InChIKeyZQXKTPCSJPFHLF-UHFFFAOYSA-N
XLogP4.15
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)pyrimidine-4-carboxamide 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-methyl-N-(2-methylpropyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109362270
N-cyclopropyl-2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109361116
2-[4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109297039
6-(4-bromoanilino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362242
6-methyl-N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109333268
N-(2-methoxyethyl)-2-methyl-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109364946
6-(cyclohexylamino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362124
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365472
[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364360
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363576
6-[4-(4-methylpiperidin-1-yl)anilino]-N-propylpyridazine-3-carboxamide
CID 109109356
2-methyl-6-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine
CID 112870788

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)pyrimidine-4-carboxamide (CID 109362271) is 2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)pyrimidine-4-carboxamide is Cc1nc(Nc2ccc(N3CCC(C)CC3)cc2)cc(C(=O)NCC(C)C)n1.
What is the InChIKey of 2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The InChIKey is ZQXKTPCSJPFHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-15(2)14-23-22(28)20-13-21(25-17(4)24-20)26-18-5-7-19(8-6-18)27-11-9-16(3)10-12-27/h5-8,13,15-16H,9-12,14H2,1-4H3,(H,23,28)(H,24,25,26).
What are the key properties of 2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)pyrimidine-4-carboxamide?
2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)pyrimidine-4-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109362271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).