3-amino-2-ethyl-5-phenylthieno[2,3-d]pyrimidin-4-one

C14H13N3OS — CID 723149

IUPAC3-amino-2-ethyl-5-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1nc2scc(-c3ccccc3)c2c(=O)n1N
InChIInChI=1S/C14H13N3OS/c1-2-11-16-13-12(14(18)17(11)15)10(8-19-13)9-6-4-3-5-7-9/h3-8H,2,15H2,1H3
InChIKeySIIVRAZFWLHCBU-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.40
Rot. Bonds2

About 3-amino-2-ethyl-5-phenylthieno[2,3-d]pyrimidin-4-one

3-amino-2-ethyl-5-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 723149) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-amino-2-ethyl-5-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-2-ethyl-5-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID723149
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name3-amino-2-ethyl-5-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1nc2scc(-c3ccccc3)c2c(=O)n1N
InChIInChI=1S/C14H13N3OS/c1-2-11-16-13-12(14(18)17(11)15)10(8-19-13)9-6-4-3-5-7-9/h3-8H,2,15H2,1H3
InChIKeySIIVRAZFWLHCBU-UHFFFAOYSA-N
XLogP2.40
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-ethyl-5-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-amino-2-ethyl-5-phenylthieno[2,3-d]pyrimidin-4-one (CID 723149) is 3-amino-2-ethyl-5-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-2-ethyl-5-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-2-ethyl-5-phenylthieno[2,3-d]pyrimidin-4-one is CCc1nc2scc(-c3ccccc3)c2c(=O)n1N.
What is the InChIKey of 3-amino-2-ethyl-5-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is SIIVRAZFWLHCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-2-11-16-13-12(14(18)17(11)15)10(8-19-13)9-6-4-3-5-7-9/h3-8H,2,15H2,1H3.
What are the key properties of 3-amino-2-ethyl-5-phenylthieno[2,3-d]pyrimidin-4-one?
3-amino-2-ethyl-5-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 271.34 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethyl-5-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 723149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).