6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine

C22H25FN6O2S — CID 122350473

IUPAC6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCc1ccnc(Nc2cc(N3CCN(S(=O)(=O)Cc4ccc(F)cc4)CC3)nc(C)n2)c1
InChIInChI=1S/C22H25FN6O2S/c1-16-7-8-24-20(13-16)27-21-14-22(26-17(2)25-21)28-9-11-29(12-10-28)32(30,31)15-18-3-5-19(23)6-4-18/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,25,26,27)
InChIKeyUNERPFTYQUMMTK-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.02
Rot. Bonds6

About 6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine

6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine (PubChem CID 122350473) has the molecular formula C22H25FN6O2S and a molecular weight of 456.55 g/mol. Its IUPAC name is 6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
PubChem CID122350473
Molecular FormulaC22H25FN6O2S
Molecular Weight456.55 g/mol
Exact Mass456.17
IUPAC Name6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCc1ccnc(Nc2cc(N3CCN(S(=O)(=O)Cc4ccc(F)cc4)CC3)nc(C)n2)c1
InChIInChI=1S/C22H25FN6O2S/c1-16-7-8-24-20(13-16)27-21-14-22(26-17(2)25-21)28-9-11-29(12-10-28)32(30,31)15-18-3-5-19(23)6-4-18/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,25,26,27)
InChIKeyUNERPFTYQUMMTK-UHFFFAOYSA-N
XLogP3.02
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine with MolForge

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Related Compounds

N-ethyl-6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methylpyrimidin-4-amine
CID 122351832
2-methyl-N-(4-methyl-2-pyridinyl)-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidin-4-amine
CID 122350505
6-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 122349652
2-methyl-4-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 122337886
2-methyl-N-(4-methyl-2-pyridinyl)-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine
CID 122350552
6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N-(5-methyl-2-pyridinyl)pyridazin-3-amine
CID 122351519
2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122333164
6-[4-[(3-chlorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyridazin-3-amine
CID 122347043
4-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-methyl-2-piperidin-1-ylpyrimidine
CID 122339872
4-[4-[(3,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122340585
(3,4-difluorophenyl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350288
cyclopropyl-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350203

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine (CID 122350473) is 6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine is Cc1ccnc(Nc2cc(N3CCN(S(=O)(=O)Cc4ccc(F)cc4)CC3)nc(C)n2)c1.
What is the InChIKey of 6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine?
The InChIKey is UNERPFTYQUMMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2S/c1-16-7-8-24-20(13-16)27-21-14-22(26-17(2)25-21)28-9-11-29(12-10-28)32(30,31)15-18-3-5-19(23)6-4-18/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,25,26,27).
What are the key properties of 6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine?
6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine has a molecular weight of 456.55 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 122350473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).