2-[4-[[4-(cyclohexylamino)thieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol

C17H22N6OS — CID 155348465

IUPAC2-[4-[[4-(cyclohexylamino)thieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol
SMILESOCCn1cc(Nc2nc(NC3CCCCC3)c3sccc3n2)cn1
InChIInChI=1S/C17H22N6OS/c24-8-7-23-11-13(10-18-23)20-17-21-14-6-9-25-15(14)16(22-17)19-12-4-2-1-3-5-12/h6,9-12,24H,1-5,7-8H2,(H2,19,20,21,22)
InChIKeyHOCZYSCLTVKOOS-UHFFFAOYSA-N
MW358.47 g/mol
LogP3.37
Rot. Bonds6

About 2-[4-[[4-(cyclohexylamino)thieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol

2-[4-[[4-(cyclohexylamino)thieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol (PubChem CID 155348465) has the molecular formula C17H22N6OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-[4-[[4-(cyclohexylamino)thieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-(cyclohexylamino)thieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol
PubChem CID155348465
Molecular FormulaC17H22N6OS
Molecular Weight358.47 g/mol
Exact Mass358.16
IUPAC Name2-[4-[[4-(cyclohexylamino)thieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol
SMILESOCCn1cc(Nc2nc(NC3CCCCC3)c3sccc3n2)cn1
InChIInChI=1S/C17H22N6OS/c24-8-7-23-11-13(10-18-23)20-17-21-14-6-9-25-15(14)16(22-17)19-12-4-2-1-3-5-12/h6,9-12,24H,1-5,7-8H2,(H2,19,20,21,22)
InChIKeyHOCZYSCLTVKOOS-UHFFFAOYSA-N
XLogP3.37
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[4-(cyclohexylamino)thieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

1-[4-[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 122470516
4-[[2-[(1-pyridin-2-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 135128165
1-[(3R)-3-[[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 122470523
1-[(3R)-3-[[2-[(1-propan-2-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 122470531
4-[[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 156905925
2-[4-[(5-methylpyrimidin-2-yl)amino]pyrazol-1-yl]ethanol
CID 141287434
2-N-cyclopentyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 59130365
2-[2-[4-[[6-bromo-4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-2-yl]amino]pyrazol-1-yl]ethoxy]ethanol
CID 118475366
1-[(3R)-3-[2-[(1-methylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 122470528
2-[4-[[5-chloro-4-[(1-methylsulfonylpiperidin-2-yl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol
CID 78132612
4-[1-(2-amino-1-cyclopentylethyl)pyrazol-4-yl]-N-phenylthieno[3,2-d]pyrimidin-2-amine
CID 123930965
1-[(3R)-3-[[2-[(1-methylpyrazol-4-yl)amino]thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 122470505

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(cyclohexylamino)thieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[4-(cyclohexylamino)thieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol (CID 155348465) is 2-[4-[[4-(cyclohexylamino)thieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[4-(cyclohexylamino)thieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[4-(cyclohexylamino)thieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol is OCCn1cc(Nc2nc(NC3CCCCC3)c3sccc3n2)cn1.
What is the InChIKey of 2-[4-[[4-(cyclohexylamino)thieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol?
The InChIKey is HOCZYSCLTVKOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6OS/c24-8-7-23-11-13(10-18-23)20-17-21-14-6-9-25-15(14)16(22-17)19-12-4-2-1-3-5-12/h6,9-12,24H,1-5,7-8H2,(H2,19,20,21,22).
What are the key properties of 2-[4-[[4-(cyclohexylamino)thieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol?
2-[4-[[4-(cyclohexylamino)thieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol has a molecular weight of 358.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(cyclohexylamino)thieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 155348465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).