2-(1-amino-2-methylpropyl)-6-(2-chloro-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one

C15H15ClN4OS — CID 146371598

IUPAC2-(1-amino-2-methylpropyl)-6-(2-chloro-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)C(N)c1nc2cc(-c3ccnc(Cl)c3)sc2c(=O)[nH]1
InChIInChI=1S/C15H15ClN4OS/c1-7(2)12(17)14-19-9-6-10(22-13(9)15(21)20-14)8-3-4-18-11(16)5-8/h3-7,12H,17H2,1-2H3,(H,19,20,21)
InChIKeyRNOVPZFKWOWKKH-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.36
Rot. Bonds3

About 2-(1-amino-2-methylpropyl)-6-(2-chloro-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one

2-(1-amino-2-methylpropyl)-6-(2-chloro-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 146371598) has the molecular formula C15H15ClN4OS and a molecular weight of 334.83 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropyl)-6-(2-chloro-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-amino-2-methylpropyl)-6-(2-chloro-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID146371598
Molecular FormulaC15H15ClN4OS
Molecular Weight334.83 g/mol
Exact Mass334.07
IUPAC Name2-(1-amino-2-methylpropyl)-6-(2-chloro-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)C(N)c1nc2cc(-c3ccnc(Cl)c3)sc2c(=O)[nH]1
InChIInChI=1S/C15H15ClN4OS/c1-7(2)12(17)14-19-9-6-10(22-13(9)15(21)20-14)8-3-4-18-11(16)5-8/h3-7,12H,17H2,1-2H3,(H,19,20,21)
InChIKeyRNOVPZFKWOWKKH-UHFFFAOYSA-N
XLogP3.36
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylpropyl)-6-(2-chloro-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(1-amino-2-methylpropyl)-6-(2-chloro-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 146371598) is 2-(1-amino-2-methylpropyl)-6-(2-chloro-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-amino-2-methylpropyl)-6-(2-chloro-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-amino-2-methylpropyl)-6-(2-chloro-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one is CC(C)C(N)c1nc2cc(-c3ccnc(Cl)c3)sc2c(=O)[nH]1.
What is the InChIKey of 2-(1-amino-2-methylpropyl)-6-(2-chloro-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is RNOVPZFKWOWKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4OS/c1-7(2)12(17)14-19-9-6-10(22-13(9)15(21)20-14)8-3-4-18-11(16)5-8/h3-7,12H,17H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(1-amino-2-methylpropyl)-6-(2-chloro-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one?
2-(1-amino-2-methylpropyl)-6-(2-chloro-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 334.83 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropyl)-6-(2-chloro-4-pyridinyl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 146371598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).