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

C19H23N7OS — CID 137355953

IUPAC2-[4-[2-methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCc1nc(Nc2ncc(-c3ccncc3)s2)cc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C19H23N7OS/c1-14-22-17(12-18(23-14)26-8-6-25(7-9-26)10-11-27)24-19-21-13-16(28-19)15-2-4-20-5-3-15/h2-5,12-13,27H,6-11H2,1H3,(H,21,22,23,24)
InChIKeyYUFNNCBNQOTZPZ-UHFFFAOYSA-N
MW397.51 g/mol
LogP2.16
Rot. Bonds6

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

2-[4-[2-methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 137355953) has the molecular formula C19H23N7OS and a molecular weight of 397.51 g/mol. Its IUPAC name is 2-[4-[2-methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID137355953
Molecular FormulaC19H23N7OS
Molecular Weight397.51 g/mol
Exact Mass397.17
IUPAC Name2-[4-[2-methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCc1nc(Nc2ncc(-c3ccncc3)s2)cc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C19H23N7OS/c1-14-22-17(12-18(23-14)26-8-6-25(7-9-26)10-11-27)24-19-21-13-16(28-19)15-2-4-20-5-3-15/h2-5,12-13,27H,6-11H2,1H3,(H,21,22,23,24)
InChIKeyYUFNNCBNQOTZPZ-UHFFFAOYSA-N
XLogP2.16
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.51
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[4-[2-methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 137355953) is 2-[4-[2-methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol is Cc1nc(Nc2ncc(-c3ccncc3)s2)cc(N2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[2-methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is YUFNNCBNQOTZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7OS/c1-14-22-17(12-18(23-14)26-8-6-25(7-9-26)10-11-27)24-19-21-13-16(28-19)15-2-4-20-5-3-15/h2-5,12-13,27H,6-11H2,1H3,(H,21,22,23,24).
What are the key properties of 2-[4-[2-methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[2-methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 397.51 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 137355953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).