4-chloro-1-methyl-6-(prop-2-enoxymethyl)pyrazolo[5,4-d]pyrimidine

C10H11ClN4O — CID 63221030

IUPAC4-chloro-1-methyl-6-(prop-2-enoxymethyl)pyrazolo[5,4-d]pyrimidine
SMILESC=CCOCc1nc(Cl)c2cnn(C)c2n1
InChIInChI=1S/C10H11ClN4O/c1-3-4-16-6-8-13-9(11)7-5-12-15(2)10(7)14-8/h3,5H,1,4,6H2,2H3
InChIKeyFBHWCXBXRZDGAW-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.72
Rot. Bonds4

About 4-chloro-1-methyl-6-(prop-2-enoxymethyl)pyrazolo[5,4-d]pyrimidine

4-chloro-1-methyl-6-(prop-2-enoxymethyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 63221030) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 4-chloro-1-methyl-6-(prop-2-enoxymethyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-1-methyl-6-(prop-2-enoxymethyl)pyrazolo[5,4-d]pyrimidine
PubChem CID63221030
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name4-chloro-1-methyl-6-(prop-2-enoxymethyl)pyrazolo[5,4-d]pyrimidine
SMILESC=CCOCc1nc(Cl)c2cnn(C)c2n1
InChIInChI=1S/C10H11ClN4O/c1-3-4-16-6-8-13-9(11)7-5-12-15(2)10(7)14-8/h3,5H,1,4,6H2,2H3
InChIKeyFBHWCXBXRZDGAW-UHFFFAOYSA-N
XLogP1.72
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-6-(prop-2-enoxymethyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-chloro-1-methyl-6-(prop-2-enoxymethyl)pyrazolo[5,4-d]pyrimidine (CID 63221030) is 4-chloro-1-methyl-6-(prop-2-enoxymethyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-1-methyl-6-(prop-2-enoxymethyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-chloro-1-methyl-6-(prop-2-enoxymethyl)pyrazolo[5,4-d]pyrimidine is C=CCOCc1nc(Cl)c2cnn(C)c2n1.
What is the InChIKey of 4-chloro-1-methyl-6-(prop-2-enoxymethyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is FBHWCXBXRZDGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-3-4-16-6-8-13-9(11)7-5-12-15(2)10(7)14-8/h3,5H,1,4,6H2,2H3.
What are the key properties of 4-chloro-1-methyl-6-(prop-2-enoxymethyl)pyrazolo[5,4-d]pyrimidine?
4-chloro-1-methyl-6-(prop-2-enoxymethyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 238.68 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-6-(prop-2-enoxymethyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 63221030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).