5-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-methylpyrimidine-2,4-dione

C14H15N5O2S — CID 154772434

IUPAC5-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-methylpyrimidine-2,4-dione
SMILESCc1nc(NCc2cn(C)c(=O)[nH]c2=O)c2c(C)csc2n1
InChIInChI=1S/C14H15N5O2S/c1-7-6-22-13-10(7)11(16-8(2)17-13)15-4-9-5-19(3)14(21)18-12(9)20/h5-6H,4H2,1-3H3,(H,15,16,17)(H,18,20,21)
InChIKeyVVAIZFHYGUQJPC-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.31
Rot. Bonds3

About 5-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-methylpyrimidine-2,4-dione

5-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-methylpyrimidine-2,4-dione (PubChem CID 154772434) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is 5-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-methylpyrimidine-2,4-dione
PubChem CID154772434
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name5-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-methylpyrimidine-2,4-dione
SMILESCc1nc(NCc2cn(C)c(=O)[nH]c2=O)c2c(C)csc2n1
InChIInChI=1S/C14H15N5O2S/c1-7-6-22-13-10(7)11(16-8(2)17-13)15-4-9-5-19(3)14(21)18-12(9)20/h5-6H,4H2,1-3H3,(H,15,16,17)(H,18,20,21)
InChIKeyVVAIZFHYGUQJPC-UHFFFAOYSA-N
XLogP1.31
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-methylpyrimidine-2,4-dione (CID 154772434) is 5-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-methylpyrimidine-2,4-dione is Cc1nc(NCc2cn(C)c(=O)[nH]c2=O)c2c(C)csc2n1.
What is the InChIKey of 5-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is VVAIZFHYGUQJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-7-6-22-13-10(7)11(16-8(2)17-13)15-4-9-5-19(3)14(21)18-12(9)20/h5-6H,4H2,1-3H3,(H,15,16,17)(H,18,20,21).
What are the key properties of 5-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-methylpyrimidine-2,4-dione?
5-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 317.37 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 154772434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).