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

C10H13N3O2S — CID 102686564

IUPAC3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,2-diol
SMILESCc1csc2c(NCC(O)CO)ncnc12
InChIInChI=1S/C10H13N3O2S/c1-6-4-16-9-8(6)12-5-13-10(9)11-2-7(15)3-14/h4-5,7,14-15H,2-3H2,1H3,(H,11,12,13)
InChIKeyGOVHZHBAUROLJO-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.76
Rot. Bonds4

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

3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,2-diol (PubChem CID 102686564) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,2-diol
PubChem CID102686564
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,2-diol
SMILESCc1csc2c(NCC(O)CO)ncnc12
InChIInChI=1S/C10H13N3O2S/c1-6-4-16-9-8(6)12-5-13-10(9)11-2-7(15)3-14/h4-5,7,14-15H,2-3H2,1H3,(H,11,12,13)
InChIKeyGOVHZHBAUROLJO-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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Related Compounds

1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 102686862
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol
CID 102686545
N,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686940
2-methyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102687370
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 106842572
N-(2-cyclopropylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686678
2-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine
CID 102687379
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 102686263
4-methyl-2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]pentanoic acid
CID 102686030
N-tert-butyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetamide
CID 102686608
7-methyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrimidin-4-amine
CID 102686662
N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686176

Frequently Asked Questions

What is the IUPAC name of 3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,2-diol?
The IUPAC name of 3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,2-diol (CID 102686564) is 3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,2-diol is Cc1csc2c(NCC(O)CO)ncnc12.
What is the InChIKey of 3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,2-diol?
The InChIKey is GOVHZHBAUROLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-6-4-16-9-8(6)12-5-13-10(9)11-2-7(15)3-14/h4-5,7,14-15H,2-3H2,1H3,(H,11,12,13).
What are the key properties of 3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,2-diol?
3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,2-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 3-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,2-diol is sourced from PubChem (CID 102686564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).