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

C16H19N7S — CID 11996931

IUPAC2-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
SMILESCc1cc(Nc2nc(N[C@@H]3CC4CCC3N4)nc3ccsc23)n[nH]1
InChIInChI=1S/C16H19N7S/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)/t9?,10?,12-/m1/s1
InChIKeyNJEDRKZRTUCTNZ-RTYFJBAXSA-N
MW341.44 g/mol
LogP2.77
Rot. Bonds4

About 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

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 (PubChem CID 11996931) has the molecular formula C16H19N7S and a molecular weight of 341.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID11996931
Molecular FormulaC16H19N7S
Molecular Weight341.44 g/mol
Exact Mass341.14
IUPAC Name2-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
SMILESCc1cc(Nc2nc(N[C@@H]3CC4CCC3N4)nc3ccsc23)n[nH]1
InChIInChI=1S/C16H19N7S/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)/t9?,10?,12-/m1/s1
InChIKeyNJEDRKZRTUCTNZ-RTYFJBAXSA-N
XLogP2.77
TPSA90.55 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Nc2nc(N[C@@H]3CC4CCC3N4)nc3ccsc23)n[nH]1.
What is the InChIKey of 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?
The InChIKey is NJEDRKZRTUCTNZ-RTYFJBAXSA-N. The full InChI is InChI=1S/C16H19N7S/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)/t9?,10?,12-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 341.44 g/mol, XLogP of 2.77, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11996931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).