2-N-[(1S,5R)-9-azatricyclo[3.3.1.03,9]nonan-7-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine

C18H21N7S — CID 146644777

IUPAC2-N-[(1S,5R)-9-azatricyclo[3.3.1.03,9]nonan-7-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(NC3C[C@@H]4CC5C[C@H](C3)N54)nc3sccc23)n[nH]1
InChIInChI=1S/C18H21N7S/c1-9-4-15(24-23-9)20-16-14-2-3-26-17(14)22-18(21-16)19-10-5-11-7-13-8-12(6-10)25(11)13/h2-4,10-13H,5-8H2,1H3,(H3,19,20,21,22,23,24)/t10?,11-,12+,13?
InChIKeyNLNBAAAZLDPXOT-UNTZMWQOSA-N
MW367.48 g/mol
LogP3.26
Rot. Bonds4

About 2-N-[(1S,5R)-9-azatricyclo[3.3.1.03,9]nonan-7-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine

2-N-[(1S,5R)-9-azatricyclo[3.3.1.03,9]nonan-7-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 146644777) has the molecular formula C18H21N7S and a molecular weight of 367.48 g/mol. Its IUPAC name is 2-N-[(1S,5R)-9-azatricyclo[3.3.1.03,9]nonan-7-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1S,5R)-9-azatricyclo[3.3.1.03,9]nonan-7-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID146644777
Molecular FormulaC18H21N7S
Molecular Weight367.48 g/mol
Exact Mass367.16
IUPAC Name2-N-[(1S,5R)-9-azatricyclo[3.3.1.03,9]nonan-7-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(NC3C[C@@H]4CC5C[C@H](C3)N54)nc3sccc23)n[nH]1
InChIInChI=1S/C18H21N7S/c1-9-4-15(24-23-9)20-16-14-2-3-26-17(14)22-18(21-16)19-10-5-11-7-13-8-12(6-10)25(11)13/h2-4,10-13H,5-8H2,1H3,(H3,19,20,21,22,23,24)/t10?,11-,12+,13?
InChIKeyNLNBAAAZLDPXOT-UNTZMWQOSA-N
XLogP3.26
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-N-[(1S,5R)-9-azatricyclo[3.3.1.03,9]nonan-7-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

3-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]propanenitrile
CID 146644772
3-[2,6-diethyl-4-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]propanenitrile
CID 146644871
3-[(1S,5R)-3-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-4-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146644872
1-[[(1S,5R)-3-[methyl-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]sulfonyl]azetidine-3-carbonitrile
CID 146644991
1-[[8-[methyl-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]-10-azatricyclo[4.3.1.03,10]decan-3-yl]sulfinyl]azetidine-3-carbonitrile
CID 146644994
2-(methylamino)-1-[(1S,5R)-3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]ethanone
CID 146644996
1-[2,6-diethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]-2-(methylamino)ethanone
CID 146645001
2-N-(6-ethyl-8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl)-2-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 146645007
N,N-dimethyl-2-[(1R,5S)-3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 146645011
tert-butyl (1S,5R)-3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 146645012
7-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]amino]-9-azatricyclo[3.3.1.03,9]nonane-3-carbaldehyde
CID 146645014
2-N-(9-azatricyclo[3.3.1.03,9]nonan-7-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 146645026

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S,5R)-9-azatricyclo[3.3.1.03,9]nonan-7-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(1S,5R)-9-azatricyclo[3.3.1.03,9]nonan-7-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 146644777) is 2-N-[(1S,5R)-9-azatricyclo[3.3.1.03,9]nonan-7-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(1S,5R)-9-azatricyclo[3.3.1.03,9]nonan-7-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(1S,5R)-9-azatricyclo[3.3.1.03,9]nonan-7-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine is Cc1cc(Nc2nc(NC3C[C@@H]4CC5C[C@H](C3)N54)nc3sccc23)n[nH]1.
What is the InChIKey of 2-N-[(1S,5R)-9-azatricyclo[3.3.1.03,9]nonan-7-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is NLNBAAAZLDPXOT-UNTZMWQOSA-N. The full InChI is InChI=1S/C18H21N7S/c1-9-4-15(24-23-9)20-16-14-2-3-26-17(14)22-18(21-16)19-10-5-11-7-13-8-12(6-10)25(11)13/h2-4,10-13H,5-8H2,1H3,(H3,19,20,21,22,23,24)/t10?,11-,12+,13?.
What are the key properties of 2-N-[(1S,5R)-9-azatricyclo[3.3.1.03,9]nonan-7-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-[(1S,5R)-9-azatricyclo[3.3.1.03,9]nonan-7-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 367.48 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S,5R)-9-azatricyclo[3.3.1.03,9]nonan-7-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 146644777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).