2-methyl-N-(4-methyl-2-pyridinyl)-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidin-4-amine

C18H23F3N6O2S — CID 122350505

IUPAC2-methyl-N-(4-methyl-2-pyridinyl)-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1ccnc(Nc2cc(N3CCN(S(=O)(=O)CCC(F)(F)F)CC3)nc(C)n2)c1
InChIInChI=1S/C18H23F3N6O2S/c1-13-3-5-22-15(11-13)25-16-12-17(24-14(2)23-16)26-6-8-27(9-7-26)30(28,29)10-4-18(19,20)21/h3,5,11-12H,4,6-10H2,1-2H3,(H,22,23,24,25)
InChIKeyQSBPUWVUVZGKAH-UHFFFAOYSA-N
MW444.48 g/mol
LogP2.64
Rot. Bonds6

About 2-methyl-N-(4-methyl-2-pyridinyl)-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidin-4-amine

2-methyl-N-(4-methyl-2-pyridinyl)-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 122350505) has the molecular formula C18H23F3N6O2S and a molecular weight of 444.48 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-2-pyridinyl)-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-2-pyridinyl)-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID122350505
Molecular FormulaC18H23F3N6O2S
Molecular Weight444.48 g/mol
Exact Mass444.16
IUPAC Name2-methyl-N-(4-methyl-2-pyridinyl)-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1ccnc(Nc2cc(N3CCN(S(=O)(=O)CCC(F)(F)F)CC3)nc(C)n2)c1
InChIInChI=1S/C18H23F3N6O2S/c1-13-3-5-22-15(11-13)25-16-12-17(24-14(2)23-16)26-6-8-27(9-7-26)30(28,29)10-4-18(19,20)21/h3,5,11-12H,4,6-10H2,1-2H3,(H,22,23,24,25)
InChIKeyQSBPUWVUVZGKAH-UHFFFAOYSA-N
XLogP2.64
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-(4-methyl-2-pyridinyl)-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidin-4-amine with MolForge

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Related Compounds

6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-methyl-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 122350473
2-methyl-4-(trifluoromethyl)-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine
CID 91631653
2-methyl-N-(4-methyl-2-pyridinyl)-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine
CID 122350552
N-(4-methyl-2-pyridinyl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazin-3-amine
CID 121064712
cyclopropyl-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350203
(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
(3,4-difluorophenyl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350288
6-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 122349652
(4-chlorophenyl)-[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122350169
4-methyl-2-piperidin-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine
CID 122339903
3,3,3-trifluoro-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 122349602

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methyl-2-pyridinyl)-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(4-methyl-2-pyridinyl)-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidin-4-amine (CID 122350505) is 2-methyl-N-(4-methyl-2-pyridinyl)-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(4-methyl-2-pyridinyl)-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(4-methyl-2-pyridinyl)-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidin-4-amine is Cc1ccnc(Nc2cc(N3CCN(S(=O)(=O)CCC(F)(F)F)CC3)nc(C)n2)c1.
What is the InChIKey of 2-methyl-N-(4-methyl-2-pyridinyl)-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is QSBPUWVUVZGKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N6O2S/c1-13-3-5-22-15(11-13)25-16-12-17(24-14(2)23-16)26-6-8-27(9-7-26)30(28,29)10-4-18(19,20)21/h3,5,11-12H,4,6-10H2,1-2H3,(H,22,23,24,25).
What are the key properties of 2-methyl-N-(4-methyl-2-pyridinyl)-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidin-4-amine?
2-methyl-N-(4-methyl-2-pyridinyl)-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 444.48 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-2-pyridinyl)-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 122350505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).