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

C16H23N5OS — CID 110269524

IUPAC2-[2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanol
SMILESCc1cc(Nc2nc(C)cs2)nc(C2CCCCN2CCO)n1
InChIInChI=1S/C16H23N5OS/c1-11-9-14(20-16-18-12(2)10-23-16)19-15(17-11)13-5-3-4-6-21(13)7-8-22/h9-10,13,22H,3-8H2,1-2H3,(H,17,18,19,20)
InChIKeyQFNNAGYHMGPESF-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.81
Rot. Bonds5

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

2-[2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanol (PubChem CID 110269524) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-[2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanol
PubChem CID110269524
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name2-[2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanol
SMILESCc1cc(Nc2nc(C)cs2)nc(C2CCCCN2CCO)n1
InChIInChI=1S/C16H23N5OS/c1-11-9-14(20-16-18-12(2)10-23-16)19-15(17-11)13-5-3-4-6-21(13)7-8-22/h9-10,13,22H,3-8H2,1-2H3,(H,17,18,19,20)
InChIKeyQFNNAGYHMGPESF-UHFFFAOYSA-N
XLogP2.81
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanol (CID 110269524) is 2-[2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanol is Cc1cc(Nc2nc(C)cs2)nc(C2CCCCN2CCO)n1.
What is the InChIKey of 2-[2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanol?
The InChIKey is QFNNAGYHMGPESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-11-9-14(20-16-18-12(2)10-23-16)19-15(17-11)13-5-3-4-6-21(13)7-8-22/h9-10,13,22H,3-8H2,1-2H3,(H,17,18,19,20).
What are the key properties of 2-[2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanol?
2-[2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanol has a molecular weight of 333.46 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-methyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 110269524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).