4-[[4-benzyl-6-[(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol

C24H26N6O2S — CID 46913757

IUPAC4-[[4-benzyl-6-[(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCOc1ccc2nc(Nc3cc(Cc4ccccc4)nc(NC4CCC(O)CC4)n3)sc2n1
InChIInChI=1S/C24H26N6O2S/c1-32-21-12-11-19-22(30-21)33-24(27-19)29-20-14-17(13-15-5-3-2-4-6-15)26-23(28-20)25-16-7-9-18(31)10-8-16/h2-6,11-12,14,16,18,31H,7-10,13H2,1H3,(H2,25,26,27,28,29)
InChIKeyLCHCMNPPJLRNHX-UHFFFAOYSA-N
MW462.58 g/mol
LogP4.54
Rot. Bonds7

About 4-[[4-benzyl-6-[(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol

4-[[4-benzyl-6-[(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 46913757) has the molecular formula C24H26N6O2S and a molecular weight of 462.58 g/mol. Its IUPAC name is 4-[[4-benzyl-6-[(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-benzyl-6-[(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID46913757
Molecular FormulaC24H26N6O2S
Molecular Weight462.58 g/mol
Exact Mass462.18
IUPAC Name4-[[4-benzyl-6-[(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCOc1ccc2nc(Nc3cc(Cc4ccccc4)nc(NC4CCC(O)CC4)n3)sc2n1
InChIInChI=1S/C24H26N6O2S/c1-32-21-12-11-19-22(30-21)33-24(27-19)29-20-14-17(13-15-5-3-2-4-6-15)26-23(28-20)25-16-7-9-18(31)10-8-16/h2-6,11-12,14,16,18,31H,7-10,13H2,1H3,(H2,25,26,27,28,29)
InChIKeyLCHCMNPPJLRNHX-UHFFFAOYSA-N
XLogP4.54
TPSA105.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-benzyl-6-[(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-benzyl-6-[(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 46913757) is 4-[[4-benzyl-6-[(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-benzyl-6-[(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-benzyl-6-[(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol is COc1ccc2nc(Nc3cc(Cc4ccccc4)nc(NC4CCC(O)CC4)n3)sc2n1.
What is the InChIKey of 4-[[4-benzyl-6-[(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is LCHCMNPPJLRNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2S/c1-32-21-12-11-19-22(30-21)33-24(27-19)29-20-14-17(13-15-5-3-2-4-6-15)26-23(28-20)25-16-7-9-18(31)10-8-16/h2-6,11-12,14,16,18,31H,7-10,13H2,1H3,(H2,25,26,27,28,29).
What are the key properties of 4-[[4-benzyl-6-[(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[4-benzyl-6-[(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 462.58 g/mol, XLogP of 4.54, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-benzyl-6-[(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 46913757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).