3-[2-(3-methylanilino)ethyl]thieno[3,2-d]pyrimidin-4-one

C15H15N3OS — CID 62562895

IUPAC3-[2-(3-methylanilino)ethyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1cccc(NCCn2cnc3ccsc3c2=O)c1
InChIInChI=1S/C15H15N3OS/c1-11-3-2-4-12(9-11)16-6-7-18-10-17-13-5-8-20-14(13)15(18)19/h2-5,8-10,16H,6-7H2,1H3
InChIKeyHNSOUPCGFFUJOY-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.88
Rot. Bonds4

About 3-[2-(3-methylanilino)ethyl]thieno[3,2-d]pyrimidin-4-one

3-[2-(3-methylanilino)ethyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 62562895) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-[2-(3-methylanilino)ethyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(3-methylanilino)ethyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID62562895
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name3-[2-(3-methylanilino)ethyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1cccc(NCCn2cnc3ccsc3c2=O)c1
InChIInChI=1S/C15H15N3OS/c1-11-3-2-4-12(9-11)16-6-7-18-10-17-13-5-8-20-14(13)15(18)19/h2-5,8-10,16H,6-7H2,1H3
InChIKeyHNSOUPCGFFUJOY-UHFFFAOYSA-N
XLogP2.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-anilinopropyl)thieno[3,2-d]pyrimidin-4-one
CID 62563244
3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 51280236
3-(2-propan-2-ylsulfonylethyl)thieno[3,2-d]pyrimidin-4-one
CID 106731636
5-bromo-3-methyl-1-[2-(3-methylanilino)ethyl]pyridin-2-one
CID 83133830
3-methyl-4-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,2,4-oxadiazol-5-one
CID 146082880
3-[3-(2-methylpropylamino)propyl]thieno[3,2-d]pyrimidin-4-one
CID 62563421
3-nonylthieno[3,2-d]pyrimidin-4-one
CID 115582352
3-hexylthieno[3,2-d]pyrimidin-4-one
CID 115582354
3-(4-methylpentyl)thieno[3,2-d]pyrimidin-4-one
CID 116620736
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxothieno[3,2-d]pyrimidin-3-yl)propanamide
CID 51317593
3-[2-(4-methylanilino)ethyl]quinazolin-4-one
CID 5148313
3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 63316067

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylanilino)ethyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(3-methylanilino)ethyl]thieno[3,2-d]pyrimidin-4-one (CID 62562895) is 3-[2-(3-methylanilino)ethyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(3-methylanilino)ethyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(3-methylanilino)ethyl]thieno[3,2-d]pyrimidin-4-one is Cc1cccc(NCCn2cnc3ccsc3c2=O)c1.
What is the InChIKey of 3-[2-(3-methylanilino)ethyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is HNSOUPCGFFUJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-11-3-2-4-12(9-11)16-6-7-18-10-17-13-5-8-20-14(13)15(18)19/h2-5,8-10,16H,6-7H2,1H3.
What are the key properties of 3-[2-(3-methylanilino)ethyl]thieno[3,2-d]pyrimidin-4-one?
3-[2-(3-methylanilino)ethyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 285.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylanilino)ethyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 62562895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).