4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide

C23H27N7OS — CID 122350283

IUPAC4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide
SMILESCSc1cccc(NC(=O)N2CCN(c3cc(Nc4cc(C)ccn4)nc(C)n3)CC2)c1
InChIInChI=1S/C23H27N7OS/c1-16-7-8-24-20(13-16)28-21-15-22(26-17(2)25-21)29-9-11-30(12-10-29)23(31)27-18-5-4-6-19(14-18)32-3/h4-8,13-15H,9-12H2,1-3H3,(H,27,31)(H,24,25,26,28)
InChIKeyLPWQGKDMOCUFFQ-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.31
Rot. Bonds5

About 4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide

4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide (PubChem CID 122350283) has the molecular formula C23H27N7OS and a molecular weight of 449.58 g/mol. Its IUPAC name is 4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide
PubChem CID122350283
Molecular FormulaC23H27N7OS
Molecular Weight449.58 g/mol
Exact Mass449.20
IUPAC Name4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide
SMILESCSc1cccc(NC(=O)N2CCN(c3cc(Nc4cc(C)ccn4)nc(C)n3)CC2)c1
InChIInChI=1S/C23H27N7OS/c1-16-7-8-24-20(13-16)28-21-15-22(26-17(2)25-21)29-9-11-30(12-10-29)23(31)27-18-5-4-6-19(14-18)32-3/h4-8,13-15H,9-12H2,1-3H3,(H,27,31)(H,24,25,26,28)
InChIKeyLPWQGKDMOCUFFQ-UHFFFAOYSA-N
XLogP4.31
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-N-(3-methylsulfanylphenyl)piperazine-1-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

N-(3-chlorophenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
CID 71800271
N-[3-(difluoromethoxy)phenyl]-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
CID 122350284
N-(4-ethoxyphenyl)-4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
CID 122350226
4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide
CID 56700117
cyclopropyl-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350203
4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide
CID 53047696
N-(4-chlorophenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carboxamide
CID 122349382
(2-bromophenyl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350536
(3,4-difluorophenyl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350288
(4-chlorophenyl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350169
(4-iodophenyl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350540
1-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122350326

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide (CID 122350283) is 4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide is CSc1cccc(NC(=O)N2CCN(c3cc(Nc4cc(C)ccn4)nc(C)n3)CC2)c1.
What is the InChIKey of 4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide?
The InChIKey is LPWQGKDMOCUFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7OS/c1-16-7-8-24-20(13-16)28-21-15-22(26-17(2)25-21)29-9-11-30(12-10-29)23(31)27-18-5-4-6-19(14-18)32-3/h4-8,13-15H,9-12H2,1-3H3,(H,27,31)(H,24,25,26,28).
What are the key properties of 4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide?
4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide has a molecular weight of 449.58 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 122350283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).