2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol

C10H13N3O2S — CID 102686545

IUPAC2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol
SMILESCc1csc2c(NC(CO)CO)ncnc12
InChIInChI=1S/C10H13N3O2S/c1-6-4-16-9-8(6)11-5-12-10(9)13-7(2-14)3-15/h4-5,7,14-15H,2-3H2,1H3,(H,11,12,13)
InChIKeyOHPAXBDKZBYJPD-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.76
Rot. Bonds4

About 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol

2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol (PubChem CID 102686545) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol
PubChem CID102686545
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol
SMILESCc1csc2c(NC(CO)CO)ncnc12
InChIInChI=1S/C10H13N3O2S/c1-6-4-16-9-8(6)11-5-12-10(9)13-7(2-14)3-15/h4-5,7,14-15H,2-3H2,1H3,(H,11,12,13)
InChIKeyOHPAXBDKZBYJPD-UHFFFAOYSA-N
XLogP0.76
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol?
The IUPAC name of 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol (CID 102686545) is 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol is Cc1csc2c(NC(CO)CO)ncnc12.
What is the InChIKey of 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol?
The InChIKey is OHPAXBDKZBYJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-6-4-16-9-8(6)11-5-12-10(9)13-7(2-14)3-15/h4-5,7,14-15H,2-3H2,1H3,(H,11,12,13).
What are the key properties of 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol?
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol has a molecular weight of 239.30 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol is sourced from PubChem (CID 102686545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).