2-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine

C19H20N4OS — CID 166380769

IUPAC2-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCC23CNC(CO2)C3)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C19H20N4OS/c1-12-22-17(21-11-19-8-14(9-24-19)20-10-19)15-7-16(25-18(15)23-12)13-5-3-2-4-6-13/h2-7,14,20H,8-11H2,1H3,(H,21,22,23)
InChIKeyVXWATRHISSARTI-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.21
Rot. Bonds4

About 2-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine

2-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 166380769) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID166380769
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name2-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCC23CNC(CO2)C3)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C19H20N4OS/c1-12-22-17(21-11-19-8-14(9-24-19)20-10-19)15-7-16(25-18(15)23-12)13-5-3-2-4-6-13/h2-7,14,20H,8-11H2,1H3,(H,21,22,23)
InChIKeyVXWATRHISSARTI-UHFFFAOYSA-N
XLogP3.21
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine (CID 166380769) is 2-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine is Cc1nc(NCC23CNC(CO2)C3)c2cc(-c3ccccc3)sc2n1.
What is the InChIKey of 2-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VXWATRHISSARTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-12-22-17(21-11-19-8-14(9-24-19)20-10-19)15-7-16(25-18(15)23-12)13-5-3-2-4-6-13/h2-7,14,20H,8-11H2,1H3,(H,21,22,23).
What are the key properties of 2-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine?
2-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 352.46 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166380769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).