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

C16H20N6OS — CID 135128242

IUPAC4-[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCn1cc(Nc2nc(NC3CCC(O)CC3)c3sccc3n2)cn1
InChIInChI=1S/C16H20N6OS/c1-22-9-11(8-17-22)19-16-20-13-6-7-24-14(13)15(21-16)18-10-2-4-12(23)5-3-10/h6-10,12,23H,2-5H2,1H3,(H2,18,19,20,21)
InChIKeyAPUCWXNBAAOUKH-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.88
Rot. Bonds4

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

4-[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 135128242) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID135128242
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name4-[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCn1cc(Nc2nc(NC3CCC(O)CC3)c3sccc3n2)cn1
InChIInChI=1S/C16H20N6OS/c1-22-9-11(8-17-22)19-16-20-13-6-7-24-14(13)15(21-16)18-10-2-4-12(23)5-3-10/h6-10,12,23H,2-5H2,1H3,(H2,18,19,20,21)
InChIKeyAPUCWXNBAAOUKH-UHFFFAOYSA-N
XLogP2.88
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 135128242) is 4-[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is Cn1cc(Nc2nc(NC3CCC(O)CC3)c3sccc3n2)cn1.
What is the InChIKey of 4-[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is APUCWXNBAAOUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-22-9-11(8-17-22)19-16-20-13-6-7-24-14(13)15(21-16)18-10-2-4-12(23)5-3-10/h6-10,12,23H,2-5H2,1H3,(H2,18,19,20,21).
What are the key properties of 4-[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 344.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 135128242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).