1-amino-3-methylthieno[3,2-d]pyrimidine-2,4-dione

C7H7N3O2S — CID 90084411

IUPAC1-amino-3-methylthieno[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2sccc2n(N)c1=O
InChIInChI=1S/C7H7N3O2S/c1-9-6(11)5-4(2-3-13-5)10(8)7(9)12/h2-3H,8H2,1H3
InChIKeyNALGKSYZRIJBLK-UHFFFAOYSA-N
MW197.22 g/mol
LogP-0.52
Rot. Bonds

About 1-amino-3-methylthieno[3,2-d]pyrimidine-2,4-dione

1-amino-3-methylthieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 90084411) has the molecular formula C7H7N3O2S and a molecular weight of 197.22 g/mol. Its IUPAC name is 1-amino-3-methylthieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-amino-3-methylthieno[3,2-d]pyrimidine-2,4-dione
PubChem CID90084411
Molecular FormulaC7H7N3O2S
Molecular Weight197.22 g/mol
Exact Mass197.03
IUPAC Name1-amino-3-methylthieno[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2sccc2n(N)c1=O
InChIInChI=1S/C7H7N3O2S/c1-9-6(11)5-4(2-3-13-5)10(8)7(9)12/h2-3H,8H2,1H3
InChIKeyNALGKSYZRIJBLK-UHFFFAOYSA-N
XLogP-0.52
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methylthieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-amino-3-methylthieno[3,2-d]pyrimidine-2,4-dione (CID 90084411) is 1-amino-3-methylthieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-amino-3-methylthieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-amino-3-methylthieno[3,2-d]pyrimidine-2,4-dione is Cn1c(=O)c2sccc2n(N)c1=O.
What is the InChIKey of 1-amino-3-methylthieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is NALGKSYZRIJBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S/c1-9-6(11)5-4(2-3-13-5)10(8)7(9)12/h2-3H,8H2,1H3.
What are the key properties of 1-amino-3-methylthieno[3,2-d]pyrimidine-2,4-dione?
1-amino-3-methylthieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 197.22 g/mol, XLogP of -0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methylthieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 90084411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).