4-chloro-6-[(3-chlorophenyl)methoxymethyl]-1-methylpyrazolo[5,4-d]pyrimidine

C14H12Cl2N4O — CID 65124658

IUPAC4-chloro-6-[(3-chlorophenyl)methoxymethyl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(Cl)nc(COCc3cccc(Cl)c3)nc21
InChIInChI=1S/C14H12Cl2N4O/c1-20-14-11(6-17-20)13(16)18-12(19-14)8-21-7-9-3-2-4-10(15)5-9/h2-6H,7-8H2,1H3
InChIKeyGEMHRHFKRMHELB-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.39
Rot. Bonds4

About 4-chloro-6-[(3-chlorophenyl)methoxymethyl]-1-methylpyrazolo[5,4-d]pyrimidine

4-chloro-6-[(3-chlorophenyl)methoxymethyl]-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 65124658) has the molecular formula C14H12Cl2N4O and a molecular weight of 323.18 g/mol. Its IUPAC name is 4-chloro-6-[(3-chlorophenyl)methoxymethyl]-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(3-chlorophenyl)methoxymethyl]-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID65124658
Molecular FormulaC14H12Cl2N4O
Molecular Weight323.18 g/mol
Exact Mass322.04
IUPAC Name4-chloro-6-[(3-chlorophenyl)methoxymethyl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(Cl)nc(COCc3cccc(Cl)c3)nc21
InChIInChI=1S/C14H12Cl2N4O/c1-20-14-11(6-17-20)13(16)18-12(19-14)8-21-7-9-3-2-4-10(15)5-9/h2-6H,7-8H2,1H3
InChIKeyGEMHRHFKRMHELB-UHFFFAOYSA-N
XLogP3.39
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(3-chlorophenyl)methoxymethyl]-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-chloro-6-[(3-chlorophenyl)methoxymethyl]-1-methylpyrazolo[5,4-d]pyrimidine (CID 65124658) is 4-chloro-6-[(3-chlorophenyl)methoxymethyl]-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-[(3-chlorophenyl)methoxymethyl]-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-chloro-6-[(3-chlorophenyl)methoxymethyl]-1-methylpyrazolo[5,4-d]pyrimidine is Cn1ncc2c(Cl)nc(COCc3cccc(Cl)c3)nc21.
What is the InChIKey of 4-chloro-6-[(3-chlorophenyl)methoxymethyl]-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is GEMHRHFKRMHELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O/c1-20-14-11(6-17-20)13(16)18-12(19-14)8-21-7-9-3-2-4-10(15)5-9/h2-6H,7-8H2,1H3.
What are the key properties of 4-chloro-6-[(3-chlorophenyl)methoxymethyl]-1-methylpyrazolo[5,4-d]pyrimidine?
4-chloro-6-[(3-chlorophenyl)methoxymethyl]-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 323.18 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(3-chlorophenyl)methoxymethyl]-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 65124658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).