1-butyl-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C11H16N4OS — CID 135402889

IUPAC1-butyl-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCCn1nc(SC)c2c(=O)[nH]c(C)nc21
InChIInChI=1S/C11H16N4OS/c1-4-5-6-15-9-8(11(14-15)17-3)10(16)13-7(2)12-9/h4-6H2,1-3H3,(H,12,13,16)
InChIKeyJNQFZSBNSFLGHI-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.95
Rot. Bonds4

About 1-butyl-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-butyl-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135402889) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-butyl-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-butyl-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135402889
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name1-butyl-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCCn1nc(SC)c2c(=O)[nH]c(C)nc21
InChIInChI=1S/C11H16N4OS/c1-4-5-6-15-9-8(11(14-15)17-3)10(16)13-7(2)12-9/h4-6H2,1-3H3,(H,12,13,16)
InChIKeyJNQFZSBNSFLGHI-UHFFFAOYSA-N
XLogP1.95
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-butyl-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrazolo[3,4-d]pyrimidin-4-one deriv. 4c
CID 135402890
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 4d
CID 135402891
5-amino-1-methyl-3-(methylsulfanyl)-1H-pyrazole-4-carboxamide
CID 18734721
3-Acetylamino-6,7-dihydro-1-methylpyrazolo[3,4-d]thiazolo[3,2-a]pyrimidin-4(1H)-one
CID 22401670
3-amino-2-butyl-6-tert-butyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135702341
3-amino-6-propan-2-yl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135702355
7-methyl-2-(trimethyl-lambda4-sulfanyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepine-3-carboxamide
CID 166738899
5-Amino-1-butyl-3-methylsulfanylpyrazole-4-carboxamide
CID 11287631
5-Amino-1-tert-butyl-3-methylsulfanylpyrazole-4-carboxamide
CID 11470212
N-(ethylcarbamoyl)-2-(1-methyl-3-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53618661
3-(1-Methyl-3-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanenitrile
CID 75372185
5-Amino-1-cyclohexyl-3-methylsulfanylpyrazole-4-carboxamide
CID 134094770

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-butyl-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135402889) is 1-butyl-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-butyl-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-butyl-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCCCn1nc(SC)c2c(=O)[nH]c(C)nc21.
What is the InChIKey of 1-butyl-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is JNQFZSBNSFLGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-4-5-6-15-9-8(11(14-15)17-3)10(16)13-7(2)12-9/h4-6H2,1-3H3,(H,12,13,16).
What are the key properties of 1-butyl-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-butyl-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 252.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-methyl-3-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135402889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).