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

C16H20ClN7S — CID 69079187

IUPAC2-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
SMILESCc1cc(Nc2nc(NC3CC4CCC3N4)nc3ccsc23)n[nH]1.Cl
InChIInChI=1S/C16H19N7S.ClH/c1-8-6-13(23-22-8)20-15-14-11(4-5-24-14)18-16(21-15)19-12-7-9-2-3-10(12)17-9;/h4-6,9-10,12,17H,2-3,7H2,1H3,(H3,18,19,20,21,22,23);1H
InChIKeySOFMSFARDGJJJW-UHFFFAOYSA-N
MW377.91 g/mol
LogP3.19
Rot. Bonds4

About 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

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 (PubChem CID 69079187) has the molecular formula C16H20ClN7S and a molecular weight of 377.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID69079187
Molecular FormulaC16H20ClN7S
Molecular Weight377.91 g/mol
Exact Mass377.12
IUPAC Name2-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
SMILESCc1cc(Nc2nc(NC3CC4CCC3N4)nc3ccsc23)n[nH]1.Cl
InChIInChI=1S/C16H19N7S.ClH/c1-8-6-13(23-22-8)20-15-14-11(4-5-24-14)18-16(21-15)19-12-7-9-2-3-10(12)17-9;/h4-6,9-10,12,17H,2-3,7H2,1H3,(H3,18,19,20,21,22,23);1H
InChIKeySOFMSFARDGJJJW-UHFFFAOYSA-N
XLogP3.19
TPSA90.55 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.91
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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-[(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
2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]cyclohexyl]acetonitrile
CID 166928274
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
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
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
[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
2-N-[(2,6-dichlorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 72946513
N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 18382908
[(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
tert-butyl (1S,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptane-7-carboxylate;tert-butyl (1S,2R,4S)-2-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptane-7-carboxylate;2-chloro-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 161364211
N-(5-methyl-1H-pyrazol-3-yl)-2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]thieno[3,2-d]pyrimidin-4-amine
CID 69499294

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Nc2nc(NC3CC4CCC3N4)nc3ccsc23)n[nH]1.Cl.
What is the InChIKey of 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?
The InChIKey is SOFMSFARDGJJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7S.ClH/c1-8-6-13(23-22-8)20-15-14-11(4-5-24-14)18-16(21-15)19-12-7-9-2-3-10(12)17-9;/h4-6,9-10,12,17H,2-3,7H2,1H3,(H3,18,19,20,21,22,23);1H.
What are the key properties of 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?
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 has a molecular weight of 377.91 g/mol, XLogP of 3.19, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 69079187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).