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

C15H21N5O3S — CID 135731837

IUPACN-cyclohexyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc2c(cnn2CCO)c(=O)[nH]1)NC1CCCCC1
InChIInChI=1S/C15H21N5O3S/c21-7-6-20-13-11(8-16-20)14(23)19-15(18-13)24-9-12(22)17-10-4-2-1-3-5-10/h8,10,21H,1-7,9H2,(H,17,22)(H,18,19,23)
InChIKeyVMPUYDKULVEQMK-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.65
Rot. Bonds6

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

N-cyclohexyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide (PubChem CID 135731837) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-cyclohexyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide
PubChem CID135731837
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC NameN-cyclohexyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc2c(cnn2CCO)c(=O)[nH]1)NC1CCCCC1
InChIInChI=1S/C15H21N5O3S/c21-7-6-20-13-11(8-16-20)14(23)19-15(18-13)24-9-12(22)17-10-4-2-1-3-5-10/h8,10,21H,1-7,9H2,(H,17,22)(H,18,19,23)
InChIKeyVMPUYDKULVEQMK-UHFFFAOYSA-N
XLogP0.65
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide (CID 135731837) is N-cyclohexyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide is O=C(CSc1nc2c(cnn2CCO)c(=O)[nH]1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide?
The InChIKey is VMPUYDKULVEQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c21-7-6-20-13-11(8-16-20)14(23)19-15(18-13)24-9-12(22)17-10-4-2-1-3-5-10/h8,10,21H,1-7,9H2,(H,17,22)(H,18,19,23).
What are the key properties of N-cyclohexyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide?
N-cyclohexyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide has a molecular weight of 351.43 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide is sourced from PubChem (CID 135731837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).