2-[4-[2-methyl-6-[[3-methyl-5-(2-methylphenyl)-2H-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol

C22H30N6OS — CID 137400862

IUPAC2-[4-[2-methyl-6-[[3-methyl-5-(2-methylphenyl)-2H-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCc1nc(NC2SC(c3ccccc3C)=CN2C)cc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C22H30N6OS/c1-16-6-4-5-7-18(16)19-15-26(3)22(30-19)25-20-14-21(24-17(2)23-20)28-10-8-27(9-11-28)12-13-29/h4-7,14-15,22,29H,8-13H2,1-3H3,(H,23,24,25)
InChIKeyNILZFPBTCJUSBC-UHFFFAOYSA-N
MW426.59 g/mol
LogP2.58
Rot. Bonds6

About 2-[4-[2-methyl-6-[[3-methyl-5-(2-methylphenyl)-2H-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol

2-[4-[2-methyl-6-[[3-methyl-5-(2-methylphenyl)-2H-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 137400862) has the molecular formula C22H30N6OS and a molecular weight of 426.59 g/mol. Its IUPAC name is 2-[4-[2-methyl-6-[[3-methyl-5-(2-methylphenyl)-2H-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-methyl-6-[[3-methyl-5-(2-methylphenyl)-2H-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID137400862
Molecular FormulaC22H30N6OS
Molecular Weight426.59 g/mol
Exact Mass426.22
IUPAC Name2-[4-[2-methyl-6-[[3-methyl-5-(2-methylphenyl)-2H-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCc1nc(NC2SC(c3ccccc3C)=CN2C)cc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C22H30N6OS/c1-16-6-4-5-7-18(16)19-15-26(3)22(30-19)25-20-14-21(24-17(2)23-20)28-10-8-27(9-11-28)12-13-29/h4-7,14-15,22,29H,8-13H2,1-3H3,(H,23,24,25)
InChIKeyNILZFPBTCJUSBC-UHFFFAOYSA-N
XLogP2.58
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-methyl-6-[[3-methyl-5-(2-methylphenyl)-2H-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-methyl-6-[[3-methyl-5-(2-methylphenyl)-2H-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 137400862) is 2-[4-[2-methyl-6-[[3-methyl-5-(2-methylphenyl)-2H-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-methyl-6-[[3-methyl-5-(2-methylphenyl)-2H-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-methyl-6-[[3-methyl-5-(2-methylphenyl)-2H-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol is Cc1nc(NC2SC(c3ccccc3C)=CN2C)cc(N2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[2-methyl-6-[[3-methyl-5-(2-methylphenyl)-2H-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is NILZFPBTCJUSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6OS/c1-16-6-4-5-7-18(16)19-15-26(3)22(30-19)25-20-14-21(24-17(2)23-20)28-10-8-27(9-11-28)12-13-29/h4-7,14-15,22,29H,8-13H2,1-3H3,(H,23,24,25).
What are the key properties of 2-[4-[2-methyl-6-[[3-methyl-5-(2-methylphenyl)-2H-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[2-methyl-6-[[3-methyl-5-(2-methylphenyl)-2H-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 426.59 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-methyl-6-[[3-methyl-5-(2-methylphenyl)-2H-1,3-thiazol-2-yl]amino]pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 137400862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).