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

C23H24N6OS — CID 46913758

IUPAC4-[[4-benzyl-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Cc3ccccc3)cc(Nc3nc4cccnc4s3)n2)CC1
InChIInChI=1S/C23H24N6OS/c30-18-10-8-16(9-11-18)25-22-26-17(13-15-5-2-1-3-6-15)14-20(28-22)29-23-27-19-7-4-12-24-21(19)31-23/h1-7,12,14,16,18,30H,8-11,13H2,(H2,25,26,27,28,29)
InChIKeyVHWZYWCQBINXOX-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.53
Rot. Bonds6

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

4-[[4-benzyl-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 46913758) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is 4-[[4-benzyl-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-benzyl-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID46913758
Molecular FormulaC23H24N6OS
Molecular Weight432.55 g/mol
Exact Mass432.17
IUPAC Name4-[[4-benzyl-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Cc3ccccc3)cc(Nc3nc4cccnc4s3)n2)CC1
InChIInChI=1S/C23H24N6OS/c30-18-10-8-16(9-11-18)25-22-26-17(13-15-5-2-1-3-6-15)14-20(28-22)29-23-27-19-7-4-12-24-21(19)31-23/h1-7,12,14,16,18,30H,8-11,13H2,(H2,25,26,27,28,29)
InChIKeyVHWZYWCQBINXOX-UHFFFAOYSA-N
XLogP4.53
TPSA95.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-benzyl-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-benzyl-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 46913758) is 4-[[4-benzyl-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-benzyl-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-benzyl-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nc(Cc3ccccc3)cc(Nc3nc4cccnc4s3)n2)CC1.
What is the InChIKey of 4-[[4-benzyl-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is VHWZYWCQBINXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6OS/c30-18-10-8-16(9-11-18)25-22-26-17(13-15-5-2-1-3-6-15)14-20(28-22)29-23-27-19-7-4-12-24-21(19)31-23/h1-7,12,14,16,18,30H,8-11,13H2,(H2,25,26,27,28,29).
What are the key properties of 4-[[4-benzyl-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[4-benzyl-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 432.55 g/mol, XLogP of 4.53, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-benzyl-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 46913758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).