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

C15H16N6OS — CID 69499294

IUPACN-(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
SMILESCc1cc(Nc2nc(N3C[C@@H]4C[C@H]3CO4)nc3ccsc23)n[nH]1
InChIInChI=1S/C15H16N6OS/c1-8-4-12(20-19-8)17-14-13-11(2-3-23-13)16-15(18-14)21-6-10-5-9(21)7-22-10/h2-4,9-10H,5-7H2,1H3,(H2,16,17,18,19,20)/t9-,10-/m0/s1
InChIKeyANQCEYCEIKNOMN-UWVGGRQHSA-N
MW328.40 g/mol
LogP2.44
Rot. Bonds3

About 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

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 (PubChem CID 69499294) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID69499294
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC NameN-(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
SMILESCc1cc(Nc2nc(N3C[C@@H]4C[C@H]3CO4)nc3ccsc23)n[nH]1
InChIInChI=1S/C15H16N6OS/c1-8-4-12(20-19-8)17-14-13-11(2-3-23-13)16-15(18-14)21-6-10-5-9(21)7-22-10/h2-4,9-10H,5-7H2,1H3,(H2,16,17,18,19,20)/t9-,10-/m0/s1
InChIKeyANQCEYCEIKNOMN-UWVGGRQHSA-N
XLogP2.44
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Nc2nc(N3C[C@@H]4C[C@H]3CO4)nc3ccsc23)n[nH]1.
What is the InChIKey of 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?
The InChIKey is ANQCEYCEIKNOMN-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-8-4-12(20-19-8)17-14-13-11(2-3-23-13)16-15(18-14)21-6-10-5-9(21)7-22-10/h2-4,9-10H,5-7H2,1H3,(H2,16,17,18,19,20)/t9-,10-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 328.40 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 69499294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).