4-methyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine

C24H26N8S — CID 126535094

IUPAC4-methyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ccccc2)sc1-c1ccnc(Nc2ccc(N3CCN(C)CC3)cn2)n1
InChIInChI=1S/C24H26N8S/c1-17-22(33-24(27-17)28-18-6-4-3-5-7-18)20-10-11-25-23(29-20)30-21-9-8-19(16-26-21)32-14-12-31(2)13-15-32/h3-11,16H,12-15H2,1-2H3,(H,27,28)(H,25,26,29,30)
InChIKeyYTCPGIQPAHCLSI-UHFFFAOYSA-N
MW458.60 g/mol
LogP4.54
Rot. Bonds6

About 4-methyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine

4-methyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine (PubChem CID 126535094) has the molecular formula C24H26N8S and a molecular weight of 458.60 g/mol. Its IUPAC name is 4-methyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine
PubChem CID126535094
Molecular FormulaC24H26N8S
Molecular Weight458.60 g/mol
Exact Mass458.20
IUPAC Name4-methyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ccccc2)sc1-c1ccnc(Nc2ccc(N3CCN(C)CC3)cn2)n1
InChIInChI=1S/C24H26N8S/c1-17-22(33-24(27-17)28-18-6-4-3-5-7-18)20-10-11-25-23(29-20)30-21-9-8-19(16-26-21)32-14-12-31(2)13-15-32/h3-11,16H,12-15H2,1-2H3,(H,27,28)(H,25,26,29,30)
InChIKeyYTCPGIQPAHCLSI-UHFFFAOYSA-N
XLogP4.54
TPSA82.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine (CID 126535094) is 4-methyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine is Cc1nc(Nc2ccccc2)sc1-c1ccnc(Nc2ccc(N3CCN(C)CC3)cn2)n1.
What is the InChIKey of 4-methyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is YTCPGIQPAHCLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8S/c1-17-22(33-24(27-17)28-18-6-4-3-5-7-18)20-10-11-25-23(29-20)30-21-9-8-19(16-26-21)32-14-12-31(2)13-15-32/h3-11,16H,12-15H2,1-2H3,(H,27,28)(H,25,26,29,30).
What are the key properties of 4-methyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine?
4-methyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 458.60 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 126535094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).