2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]cyclohexyl]acetonitrile

C18H21N7S — CID 166928274

IUPAC2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]cyclohexyl]acetonitrile
SMILESCc1cc(Nc2nc(NC3CCC(CC#N)CC3)nc3ccsc23)n[nH]1
InChIInChI=1S/C18H21N7S/c1-11-10-15(25-24-11)22-17-16-14(7-9-26-16)21-18(23-17)20-13-4-2-12(3-5-13)6-8-19/h7,9-10,12-13H,2-6H2,1H3,(H3,20,21,22,23,24,25)
InChIKeyVGPWPUIMUBHCOH-UHFFFAOYSA-N
MW367.48 g/mol
LogP4.35
Rot. Bonds5

About 2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]cyclohexyl]acetonitrile

2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]cyclohexyl]acetonitrile (PubChem CID 166928274) has the molecular formula C18H21N7S and a molecular weight of 367.48 g/mol. Its IUPAC name is 2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]cyclohexyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]cyclohexyl]acetonitrile
PubChem CID166928274
Molecular FormulaC18H21N7S
Molecular Weight367.48 g/mol
Exact Mass367.16
IUPAC Name2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]cyclohexyl]acetonitrile
SMILESCc1cc(Nc2nc(NC3CCC(CC#N)CC3)nc3ccsc23)n[nH]1
InChIInChI=1S/C18H21N7S/c1-11-10-15(25-24-11)22-17-16-14(7-9-26-16)21-18(23-17)20-13-4-2-12(3-5-13)6-8-19/h7,9-10,12-13H,2-6H2,1H3,(H3,20,21,22,23,24,25)
InChIKeyVGPWPUIMUBHCOH-UHFFFAOYSA-N
XLogP4.35
TPSA102.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]cyclohexyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[6-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]propanenitrile
CID 146645760
2-N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 11996931
2-N-(7-azabicyclo[2.2.1]heptan-2-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine;hydrochloride
CID 69079187
N,N-dimethyl-2-[(1S,5R)-7-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-9-azabicyclo[3.3.1]nonan-3-yl]acetamide
CID 146645794
[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]-pyridin-2-ylmethanol
CID 166774066
tert-butyl (5R)-3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 166773940
[(2R,6S)-2,6-diethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 174039409
2-N-[(2,6-dichlorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 72946513
3-[3-[[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146646011
2-[(1S,2R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 11997381
3-[(3aS,6aR)-5-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propanenitrile
CID 146644773
N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 18382908

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]cyclohexyl]acetonitrile?
The IUPAC name of 2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]cyclohexyl]acetonitrile (CID 166928274) is 2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]cyclohexyl]acetonitrile.
What is the SMILES notation for 2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]cyclohexyl]acetonitrile?
The canonical SMILES for 2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]cyclohexyl]acetonitrile is Cc1cc(Nc2nc(NC3CCC(CC#N)CC3)nc3ccsc23)n[nH]1.
What is the InChIKey of 2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]cyclohexyl]acetonitrile?
The InChIKey is VGPWPUIMUBHCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7S/c1-11-10-15(25-24-11)22-17-16-14(7-9-26-16)21-18(23-17)20-13-4-2-12(3-5-13)6-8-19/h7,9-10,12-13H,2-6H2,1H3,(H3,20,21,22,23,24,25).
What are the key properties of 2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]cyclohexyl]acetonitrile?
2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]cyclohexyl]acetonitrile has a molecular weight of 367.48 g/mol, XLogP of 4.35, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]cyclohexyl]acetonitrile is sourced from PubChem (CID 166928274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).