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

C25H28N8S — CID 135286350

IUPACN,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine
SMILESCc1nc(N(C)c2ccccc2)sc1-c1ccnc(Nc2ccc(N3CCN(C)CC3)cn2)n1
InChIInChI=1S/C25H28N8S/c1-18-23(34-25(28-18)32(3)19-7-5-4-6-8-19)21-11-12-26-24(29-21)30-22-10-9-20(17-27-22)33-15-13-31(2)14-16-33/h4-12,17H,13-16H2,1-3H3,(H,26,27,29,30)
InChIKeyHCDMSNJPLKSFOG-UHFFFAOYSA-N
MW472.62 g/mol
LogP4.57
Rot. Bonds6

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

N,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine (PubChem CID 135286350) has the molecular formula C25H28N8S and a molecular weight of 472.62 g/mol. Its IUPAC name is N,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine
PubChem CID135286350
Molecular FormulaC25H28N8S
Molecular Weight472.62 g/mol
Exact Mass472.22
IUPAC NameN,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine
SMILESCc1nc(N(C)c2ccccc2)sc1-c1ccnc(Nc2ccc(N3CCN(C)CC3)cn2)n1
InChIInChI=1S/C25H28N8S/c1-18-23(34-25(28-18)32(3)19-7-5-4-6-8-19)21-11-12-26-24(29-21)30-22-10-9-20(17-27-22)33-15-13-31(2)14-16-33/h4-12,17H,13-16H2,1-3H3,(H,26,27,29,30)
InChIKeyHCDMSNJPLKSFOG-UHFFFAOYSA-N
XLogP4.57
TPSA73.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.62
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine (CID 135286350) is N,4-dimethyl-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 N,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine is Cc1nc(N(C)c2ccccc2)sc1-c1ccnc(Nc2ccc(N3CCN(C)CC3)cn2)n1.
What is the InChIKey of N,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is HCDMSNJPLKSFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8S/c1-18-23(34-25(28-18)32(3)19-7-5-4-6-8-19)21-11-12-26-24(29-21)30-22-10-9-20(17-27-22)33-15-13-31(2)14-16-33/h4-12,17H,13-16H2,1-3H3,(H,26,27,29,30).
What are the key properties of N,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine?
N,4-dimethyl-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 472.62 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-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 135286350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).