2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-methylacetamide

C10H13N5O3S — CID 135731853

IUPAC2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-methylacetamide
SMILESCNC(=O)CSc1nc2c(cnn2CCO)c(=O)[nH]1
InChIInChI=1S/C10H13N5O3S/c1-11-7(17)5-19-10-13-8-6(9(18)14-10)4-12-15(8)2-3-16/h4,16H,2-3,5H2,1H3,(H,11,17)(H,13,14,18)
InChIKeyRNLQVQATPVRZNE-UHFFFAOYSA-N
MW283.31 g/mol
LogP-1.05
Rot. Bonds5

About 2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-methylacetamide

2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-methylacetamide (PubChem CID 135731853) has the molecular formula C10H13N5O3S and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-methylacetamide
PubChem CID135731853
Molecular FormulaC10H13N5O3S
Molecular Weight283.31 g/mol
Exact Mass283.07
IUPAC Name2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-methylacetamide
SMILESCNC(=O)CSc1nc2c(cnn2CCO)c(=O)[nH]1
InChIInChI=1S/C10H13N5O3S/c1-11-7(17)5-19-10-13-8-6(9(18)14-10)4-12-15(8)2-3-16/h4,16H,2-3,5H2,1H3,(H,11,17)(H,13,14,18)
InChIKeyRNLQVQATPVRZNE-UHFFFAOYSA-N
XLogP-1.05
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-methylacetamide?
The IUPAC name of 2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-methylacetamide (CID 135731853) is 2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-methylacetamide.
What is the SMILES notation for 2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-methylacetamide?
The canonical SMILES for 2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-methylacetamide is CNC(=O)CSc1nc2c(cnn2CCO)c(=O)[nH]1.
What is the InChIKey of 2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-methylacetamide?
The InChIKey is RNLQVQATPVRZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3S/c1-11-7(17)5-19-10-13-8-6(9(18)14-10)4-12-15(8)2-3-16/h4,16H,2-3,5H2,1H3,(H,11,17)(H,13,14,18).
What are the key properties of 2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-methylacetamide?
2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-methylacetamide has a molecular weight of 283.31 g/mol, XLogP of -1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-methylacetamide is sourced from PubChem (CID 135731853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).