2-[(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]propanoic acid

C10H13N3O2S — CID 83842966

IUPAC2-[(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]propanoic acid
SMILESCc1nc(NC(C)C(=O)O)nc2c1CSC2
InChIInChI=1S/C10H13N3O2S/c1-5-7-3-16-4-8(7)13-10(11-5)12-6(2)9(14)15/h6H,3-4H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyZZTNZCSFEUHWIC-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.42
Rot. Bonds3

About 2-[(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]propanoic acid

2-[(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]propanoic acid (PubChem CID 83842966) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-[(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]propanoic acid
PubChem CID83842966
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2-[(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]propanoic acid
SMILESCc1nc(NC(C)C(=O)O)nc2c1CSC2
InChIInChI=1S/C10H13N3O2S/c1-5-7-3-16-4-8(7)13-10(11-5)12-6(2)9(14)15/h6H,3-4H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyZZTNZCSFEUHWIC-UHFFFAOYSA-N
XLogP1.42
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]propanoic acid?
The IUPAC name of 2-[(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]propanoic acid (CID 83842966) is 2-[(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]propanoic acid?
The canonical SMILES for 2-[(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]propanoic acid is Cc1nc(NC(C)C(=O)O)nc2c1CSC2.
What is the InChIKey of 2-[(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]propanoic acid?
The InChIKey is ZZTNZCSFEUHWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-5-7-3-16-4-8(7)13-10(11-5)12-6(2)9(14)15/h6H,3-4H2,1-2H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-[(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]propanoic acid?
2-[(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]propanoic acid has a molecular weight of 239.30 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)amino]propanoic acid is sourced from PubChem (CID 83842966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).