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

C19H24ClN7OS — CID 137355952

IUPAC2-[4-[2-methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol;hydrochloride
SMILESCc1nc(Nc2ncc(-c3ccncc3)s2)cc(N2CCN(CCO)CC2)n1.Cl
InChIInChI=1S/C19H23N7OS.ClH/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);1H
InChIKeyKGIPYQFAIDQBKC-UHFFFAOYSA-N
MW433.97 g/mol
LogP2.58
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;hydrochloride

2-[4-[2-methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol;hydrochloride (PubChem CID 137355952) has the molecular formula C19H24ClN7OS and a molecular weight of 433.97 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;hydrochloride.

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;hydrochloride
PubChem CID137355952
Molecular FormulaC19H24ClN7OS
Molecular Weight433.97 g/mol
Exact Mass433.15
IUPAC Name2-[4-[2-methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol;hydrochloride
SMILESCc1nc(Nc2ncc(-c3ccncc3)s2)cc(N2CCN(CCO)CC2)n1.Cl
InChIInChI=1S/C19H23N7OS.ClH/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);1H
InChIKeyKGIPYQFAIDQBKC-UHFFFAOYSA-N
XLogP2.58
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.97
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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;hydrochloride?
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;hydrochloride (CID 137355952) is 2-[4-[2-methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol;hydrochloride.
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;hydrochloride?
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;hydrochloride is Cc1nc(Nc2ncc(-c3ccncc3)s2)cc(N2CCN(CCO)CC2)n1.Cl.
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;hydrochloride?
The InChIKey is KGIPYQFAIDQBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7OS.ClH/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);1H.
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;hydrochloride?
2-[4-[2-methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol;hydrochloride has a molecular weight of 433.97 g/mol, XLogP of 2.58, 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;hydrochloride is sourced from PubChem (CID 137355952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).