4-[[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

C17H21N5OS — CID 153252326

IUPAC4-[[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCn1cc(Cc2nc(NC3CCC(O)CC3)c3sccc3n2)cn1
InChIInChI=1S/C17H21N5OS/c1-22-10-11(9-18-22)8-15-20-14-6-7-24-16(14)17(21-15)19-12-2-4-13(23)5-3-12/h6-7,9-10,12-13,23H,2-5,8H2,1H3,(H,19,20,21)
InChIKeyWTOSBLHDVOYPFK-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.73
Rot. Bonds4

About 4-[[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 153252326) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 4-[[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID153252326
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name4-[[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCn1cc(Cc2nc(NC3CCC(O)CC3)c3sccc3n2)cn1
InChIInChI=1S/C17H21N5OS/c1-22-10-11(9-18-22)8-15-20-14-6-7-24-16(14)17(21-15)19-12-2-4-13(23)5-3-12/h6-7,9-10,12-13,23H,2-5,8H2,1H3,(H,19,20,21)
InChIKeyWTOSBLHDVOYPFK-UHFFFAOYSA-N
XLogP2.73
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 153252326) is 4-[[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is Cn1cc(Cc2nc(NC3CCC(O)CC3)c3sccc3n2)cn1.
What is the InChIKey of 4-[[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is WTOSBLHDVOYPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-22-10-11(9-18-22)8-15-20-14-6-7-24-16(14)17(21-15)19-12-2-4-13(23)5-3-12/h6-7,9-10,12-13,23H,2-5,8H2,1H3,(H,19,20,21).
What are the key properties of 4-[[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 343.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 153252326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).