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

C18H21N7S — CID 146645026

IUPAC2-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
SMILESCc1cc(Nc2nc(NC3CC4CC5CC(C3)N45)nc3ccsc23)n[nH]1
InChIInChI=1S/C18H21N7S/c1-9-4-15(24-23-9)21-17-16-14(2-3-26-16)20-18(22-17)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)
InChIKeyFCYJOCRPLPBKIW-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.26
Rot. Bonds4

About 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

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 (PubChem CID 146645026) has the molecular formula C18H21N7S and a molecular weight of 367.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID146645026
Molecular FormulaC18H21N7S
Molecular Weight367.48 g/mol
Exact Mass367.16
IUPAC Name2-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
SMILESCc1cc(Nc2nc(NC3CC4CC5CC(C3)N45)nc3ccsc23)n[nH]1
InChIInChI=1S/C18H21N7S/c1-9-4-15(24-23-9)21-17-16-14(2-3-26-16)20-18(22-17)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)
InChIKeyFCYJOCRPLPBKIW-UHFFFAOYSA-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-(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Nc2nc(NC3CC4CC5CC(C3)N45)nc3ccsc23)n[nH]1.
What is the InChIKey of 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?
The InChIKey is FCYJOCRPLPBKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7S/c1-9-4-15(24-23-9)21-17-16-14(2-3-26-16)20-18(22-17)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).
What are the key properties of 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?
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 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-(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 is sourced from PubChem (CID 146645026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).