2-(1-aminoethyl)-5-chloro-3-phenylthieno[2,3-d]pyrimidin-4-one

C14H12ClN3OS — CID 121309265

IUPAC2-(1-aminoethyl)-5-chloro-3-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCC(N)c1nc2scc(Cl)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C14H12ClN3OS/c1-8(16)12-17-13-11(10(15)7-20-13)14(19)18(12)9-5-3-2-4-6-9/h2-8H,16H2,1H3
InChIKeyMRMGGXFOBKTQEW-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.12
Rot. Bonds2

About 2-(1-aminoethyl)-5-chloro-3-phenylthieno[2,3-d]pyrimidin-4-one

2-(1-aminoethyl)-5-chloro-3-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 121309265) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-chloro-3-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-chloro-3-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID121309265
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name2-(1-aminoethyl)-5-chloro-3-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCC(N)c1nc2scc(Cl)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C14H12ClN3OS/c1-8(16)12-17-13-11(10(15)7-20-13)14(19)18(12)9-5-3-2-4-6-9/h2-8H,16H2,1H3
InChIKeyMRMGGXFOBKTQEW-UHFFFAOYSA-N
XLogP3.12
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-aminoethyl)-5-chloro-3-phenylthieno[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-aminoethyl)-3-phenylthieno[3,2-d]pyrimidin-4-one
CID 59455379
2-[(1S)-1-aminoethyl]-5-(difluoromethyl)-3-phenylquinazolin-4-one
CID 90232930
2-[(1S)-1-aminoethyl]-5-chloro-3-[3-(difluoromethyl)phenyl]quinazolin-4-one
CID 90234520
2-[(1S)-1-aminoethyl]-8-fluoro-3-phenylquinazolin-4-one
CID 90233110
2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride
CID 155191424
2-[(1S)-1-aminoethyl]-3-(3,5-dichlorophenyl)-5-fluoroquinazolin-4-one
CID 90235762
2-(4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoic acid
CID 91265517
1-[3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]phenyl]-3-(2-chlorophenyl)urea
CID 118571354
2-(1-amino-2-methylpropyl)-5-bromo-3-phenylquinazolin-4-one;hydrochloride
CID 155191430
3-[(1R)-1-aminoethyl]sulfanyl-8-chloro-2-phenylisoquinolin-1-one
CID 144717299
2-[(1S)-1-aminoethyl]-3-(3-chlorophenyl)-8-methylquinazolin-4-one
CID 90235858
2-[(1S)-1-aminoethyl]-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile
CID 155905088

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-chloro-3-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1-aminoethyl)-5-chloro-3-phenylthieno[2,3-d]pyrimidin-4-one (CID 121309265) is 2-(1-aminoethyl)-5-chloro-3-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-aminoethyl)-5-chloro-3-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-aminoethyl)-5-chloro-3-phenylthieno[2,3-d]pyrimidin-4-one is CC(N)c1nc2scc(Cl)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-(1-aminoethyl)-5-chloro-3-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is MRMGGXFOBKTQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-8(16)12-17-13-11(10(15)7-20-13)14(19)18(12)9-5-3-2-4-6-9/h2-8H,16H2,1H3.
What are the key properties of 2-(1-aminoethyl)-5-chloro-3-phenylthieno[2,3-d]pyrimidin-4-one?
2-(1-aminoethyl)-5-chloro-3-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 305.79 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-chloro-3-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 121309265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).