3-[7-(aminomethyl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl]piperidine-2,6-dione

C13H14N4O3S — CID 139550581

IUPAC3-[7-(aminomethyl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl]piperidine-2,6-dione
SMILESCc1nc2c(CN)scc2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C13H14N4O3S/c1-6-15-11-7(5-21-9(11)4-14)13(20)17(6)8-2-3-10(18)16-12(8)19/h5,8H,2-4,14H2,1H3,(H,16,18,19)
InChIKeyAVMFYYSOWAUJPF-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.20
Rot. Bonds2

About 3-[7-(aminomethyl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl]piperidine-2,6-dione

3-[7-(aminomethyl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl]piperidine-2,6-dione (PubChem CID 139550581) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 3-[7-(aminomethyl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-(aminomethyl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl]piperidine-2,6-dione
PubChem CID139550581
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name3-[7-(aminomethyl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl]piperidine-2,6-dione
SMILESCc1nc2c(CN)scc2c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C13H14N4O3S/c1-6-15-11-7(5-21-9(11)4-14)13(20)17(6)8-2-3-10(18)16-12(8)19/h5,8H,2-4,14H2,1H3,(H,16,18,19)
InChIKeyAVMFYYSOWAUJPF-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-[7-(aminomethyl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl]piperidine-2,6-dione with MolForge

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Related Compounds

7-Methyl-3-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrimidin-4-one
CID 39742457
4-[(4-Hydroxy-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)carbonyl]piperazin-2-one
CID 53368243
N-methyl-2-(2-oxo-1-pyridinyl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
CID 135987692
2-[(3-oxopiperazin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135676900
N-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-7-yl]methyl]-2-(4-fluorophenyl)-2-oxoacetamide
CID 139550164
3-[5-(Difluoromethyl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl]piperidine-2,6-dione
CID 139550721
3-[6-(Difluoromethyl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]piperidine-2,6-dione
CID 139550821
3-[7-(Aminomethyl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 146192618
[3-[7-(Aminomethyl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl]-2,6-dioxopiperidin-1-yl] 2,2,2-trifluoroacetate
CID 146192619
2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 102685784
5-(Difluoromethyl)-2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)thieno[3,4-d]pyrimidin-4-one
CID 158168867
5-methyl-2-(methylsulfanylmethyl)-4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 16384439

Frequently Asked Questions

What is the IUPAC name of 3-[7-(aminomethyl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-(aminomethyl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl]piperidine-2,6-dione (CID 139550581) is 3-[7-(aminomethyl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-(aminomethyl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-(aminomethyl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl]piperidine-2,6-dione is Cc1nc2c(CN)scc2c(=O)n1C1CCC(=O)NC1=O.
What is the InChIKey of 3-[7-(aminomethyl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl]piperidine-2,6-dione?
The InChIKey is AVMFYYSOWAUJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-6-15-11-7(5-21-9(11)4-14)13(20)17(6)8-2-3-10(18)16-12(8)19/h5,8H,2-4,14H2,1H3,(H,16,18,19).
What are the key properties of 3-[7-(aminomethyl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl]piperidine-2,6-dione?
3-[7-(aminomethyl)-2-methyl-4-oxothieno[3,4-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-[7-(aminomethyl)-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 139550581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).