5-propan-2-yl-6H-thiadiazolo[5,4-d]pyrimidin-7-one

C7H8N4OS — CID 135713023

IUPAC5-propan-2-yl-6H-thiadiazolo[5,4-d]pyrimidin-7-one
SMILESCC(C)c1nc2snnc2c(=O)[nH]1
InChIInChI=1S/C7H8N4OS/c1-3(2)5-8-6(12)4-7(9-5)13-11-10-4/h3H,1-2H3,(H,8,9,12)
InChIKeyDARFLVRVGMLEQV-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.90
Rot. Bonds1

About 5-propan-2-yl-6H-thiadiazolo[5,4-d]pyrimidin-7-one

5-propan-2-yl-6H-thiadiazolo[5,4-d]pyrimidin-7-one (PubChem CID 135713023) has the molecular formula C7H8N4OS and a molecular weight of 196.23 g/mol. Its IUPAC name is 5-propan-2-yl-6H-thiadiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-propan-2-yl-6H-thiadiazolo[5,4-d]pyrimidin-7-one
PubChem CID135713023
Molecular FormulaC7H8N4OS
Molecular Weight196.23 g/mol
Exact Mass196.04
IUPAC Name5-propan-2-yl-6H-thiadiazolo[5,4-d]pyrimidin-7-one
SMILESCC(C)c1nc2snnc2c(=O)[nH]1
InChIInChI=1S/C7H8N4OS/c1-3(2)5-8-6(12)4-7(9-5)13-11-10-4/h3H,1-2H3,(H,8,9,12)
InChIKeyDARFLVRVGMLEQV-UHFFFAOYSA-N
XLogP0.90
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-oxo-2-propan-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28868088
4-(chloromethyl)-2,5-di(propan-2-yl)-1H-pyrimidin-6-one
CID 135819051
5-iodo-2-propan-2-yl-1H-pyrimidin-6-one
CID 60835497
(7R)-7-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 7391303
4-chloro-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonitrile
CID 137030345
5-methyl-2-propan-2-yl-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136769311
4-(3,5-dimethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691706
3-amino-7-propan-2-yl-8H-[1,2]thiazolo[5,4-f]quinazolin-9-one
CID 136960117
4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136692391
2-(1-chloroethyl)-5-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 43150203
4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one
CID 175903663
2,3,6-tri(propan-2-yl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 175610841

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-6H-thiadiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 5-propan-2-yl-6H-thiadiazolo[5,4-d]pyrimidin-7-one (CID 135713023) is 5-propan-2-yl-6H-thiadiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 5-propan-2-yl-6H-thiadiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 5-propan-2-yl-6H-thiadiazolo[5,4-d]pyrimidin-7-one is CC(C)c1nc2snnc2c(=O)[nH]1.
What is the InChIKey of 5-propan-2-yl-6H-thiadiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is DARFLVRVGMLEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-3(2)5-8-6(12)4-7(9-5)13-11-10-4/h3H,1-2H3,(H,8,9,12).
What are the key properties of 5-propan-2-yl-6H-thiadiazolo[5,4-d]pyrimidin-7-one?
5-propan-2-yl-6H-thiadiazolo[5,4-d]pyrimidin-7-one has a molecular weight of 196.23 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-6H-thiadiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 135713023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).