2-(1-aminoethyl)-3-phenylthieno[3,2-d]pyrimidin-4-one

C14H13N3OS — CID 59455379

IUPAC2-(1-aminoethyl)-3-phenylthieno[3,2-d]pyrimidin-4-one
SMILESCC(N)c1nc2ccsc2c(=O)n1-c1ccccc1
InChIInChI=1S/C14H13N3OS/c1-9(15)13-16-11-7-8-19-12(11)14(18)17(13)10-5-3-2-4-6-10/h2-9H,15H2,1H3
InChIKeyPVFAJBKKGJWOOU-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.47
Rot. Bonds2

About 2-(1-aminoethyl)-3-phenylthieno[3,2-d]pyrimidin-4-one

2-(1-aminoethyl)-3-phenylthieno[3,2-d]pyrimidin-4-one (PubChem CID 59455379) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-(1-aminoethyl)-3-phenylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-3-phenylthieno[3,2-d]pyrimidin-4-one
PubChem CID59455379
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-(1-aminoethyl)-3-phenylthieno[3,2-d]pyrimidin-4-one
SMILESCC(N)c1nc2ccsc2c(=O)n1-c1ccccc1
InChIInChI=1S/C14H13N3OS/c1-9(15)13-16-11-7-8-19-12(11)14(18)17(13)10-5-3-2-4-6-10/h2-9H,15H2,1H3
InChIKeyPVFAJBKKGJWOOU-UHFFFAOYSA-N
XLogP2.47
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-3-phenylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(1-aminoethyl)-3-phenylthieno[3,2-d]pyrimidin-4-one (CID 59455379) is 2-(1-aminoethyl)-3-phenylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-aminoethyl)-3-phenylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-aminoethyl)-3-phenylthieno[3,2-d]pyrimidin-4-one is CC(N)c1nc2ccsc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-(1-aminoethyl)-3-phenylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is PVFAJBKKGJWOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9(15)13-16-11-7-8-19-12(11)14(18)17(13)10-5-3-2-4-6-10/h2-9H,15H2,1H3.
What are the key properties of 2-(1-aminoethyl)-3-phenylthieno[3,2-d]pyrimidin-4-one?
2-(1-aminoethyl)-3-phenylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 271.35 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-3-phenylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 59455379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).