6-(dichloromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C6H4Cl2N4O — CID 137258011

IUPAC6-(dichloromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C(Cl)Cl)nc2[nH]ncc12
InChIInChI=1S/C6H4Cl2N4O/c7-3(8)5-10-4-2(1-9-12-4)6(13)11-5/h1,3H,(H2,9,10,11,12,13)
InChIKeyIBEGMKLFJOZXKA-UHFFFAOYSA-N
MW219.03 g/mol
LogP1.12
Rot. Bonds1

About 6-(dichloromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-(dichloromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137258011) has the molecular formula C6H4Cl2N4O and a molecular weight of 219.03 g/mol. Its IUPAC name is 6-(dichloromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(dichloromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137258011
Molecular FormulaC6H4Cl2N4O
Molecular Weight219.03 g/mol
Exact Mass217.98
IUPAC Name6-(dichloromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C(Cl)Cl)nc2[nH]ncc12
InChIInChI=1S/C6H4Cl2N4O/c7-3(8)5-10-4-2(1-9-12-4)6(13)11-5/h1,3H,(H2,9,10,11,12,13)
InChIKeyIBEGMKLFJOZXKA-UHFFFAOYSA-N
XLogP1.12
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.03
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-(dichloromethyl)-1,5-dihydropyrazolo[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

6-(dimethylamino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135403384
6-methylsulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135483440
6-pyrrolidin-1-yl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 166197479
(2S)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]propanoic acid
CID 136739094
6-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 136676302
6-(3-hydroxypropylsulfanyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 136833692
6-(4-tert-butylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135422910
6-[(4-ethylphenyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137262862
6-(3-chloro-2-phenylsulfanylpropyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137211377
6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137262968
CID 135618481
CID 135618481
6-[(1-methylsulfanylcyclopropyl)methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137262912

Frequently Asked Questions

What is the IUPAC name of 6-(dichloromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(dichloromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 137258011) is 6-(dichloromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(dichloromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(dichloromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(C(Cl)Cl)nc2[nH]ncc12.
What is the InChIKey of 6-(dichloromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is IBEGMKLFJOZXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N4O/c7-3(8)5-10-4-2(1-9-12-4)6(13)11-5/h1,3H,(H2,9,10,11,12,13).
What are the key properties of 6-(dichloromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-(dichloromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 219.03 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dichloromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137258011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).