3-[6-(aminomethyl)-2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl]piperidine-2,6-dione

C13H14N4O3S — CID 139536265

IUPAC3-[6-(aminomethyl)-2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl]piperidine-2,6-dione
SMILESCc1nc2cc(CN)sc2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C13H14N4O3S/c1-6-15-8-4-7(5-14)21-11(8)13(20)17(6)9-2-3-10(18)16-12(9)19/h4,9H,2-3,5,14H2,1H3,(H,16,18,19)
InChIKeyNHCIVINJRRHSJZ-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.20
Rot. Bonds2

About 3-[6-(aminomethyl)-2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl]piperidine-2,6-dione

3-[6-(aminomethyl)-2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl]piperidine-2,6-dione (PubChem CID 139536265) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 3-[6-(aminomethyl)-2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-(aminomethyl)-2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl]piperidine-2,6-dione
PubChem CID139536265
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name3-[6-(aminomethyl)-2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl]piperidine-2,6-dione
SMILESCc1nc2cc(CN)sc2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C13H14N4O3S/c1-6-15-8-4-7(5-14)21-11(8)13(20)17(6)9-2-3-10(18)16-12(9)19/h4,9H,2-3,5,14H2,1H3,(H,16,18,19)
InChIKeyNHCIVINJRRHSJZ-UHFFFAOYSA-N
XLogP0.20
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[6-(aminomethyl)-2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl]piperidine-2,6-dione 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

(3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146338076
1-[[6-amino-3-(2,6-dioxopiperidin-3-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]methyl]-3-(5-amino-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl)piperidine-2,6-dione
CID 146206022
3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 25235686
3-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 25235872
5-amino-3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazoline-7-carbonitrile
CID 146338206
3-(5-hydroxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146598490
3-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 167418527
3-(2-methyl-6-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 68728143
(3S)-3-(2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)pyrrolidine-2,5-dione
CID 146192622
3-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)azepane-2,7-dione
CID 166818482
3-(7-bromo-2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146338228
(3R)-3-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 86345042

Frequently Asked Questions

What is the IUPAC name of 3-[6-(aminomethyl)-2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-(aminomethyl)-2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl]piperidine-2,6-dione (CID 139536265) is 3-[6-(aminomethyl)-2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-(aminomethyl)-2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-(aminomethyl)-2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl]piperidine-2,6-dione is Cc1nc2cc(CN)sc2c(=O)n1C1CCC(=O)NC1=O.
What is the InChIKey of 3-[6-(aminomethyl)-2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl]piperidine-2,6-dione?
The InChIKey is NHCIVINJRRHSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-6-15-8-4-7(5-14)21-11(8)13(20)17(6)9-2-3-10(18)16-12(9)19/h4,9H,2-3,5,14H2,1H3,(H,16,18,19).
What are the key properties of 3-[6-(aminomethyl)-2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl]piperidine-2,6-dione?
3-[6-(aminomethyl)-2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl]piperidine-2,6-dione has a molecular weight of 306.35 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(aminomethyl)-2-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 139536265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).