6-[1-(4-hydroxy-3-methylanilino)ethyl]-1,5-dimethyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one

C19H25N5O2 — CID 68809758

IUPAC6-[1-(4-hydroxy-3-methylanilino)ethyl]-1,5-dimethyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)n(C(C)Nc3ccc(O)c(C)c3)c(C)nc12
InChIInChI=1S/C19H25N5O2/c1-6-7-15-17-18(23(5)22-15)19(26)24(13(4)21-17)12(3)20-14-8-9-16(25)11(2)10-14/h8-10,12,20,25H,6-7H2,1-5H3
InChIKeyYVXYVTLJYLVDQC-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.04
Rot. Bonds5

About 6-[1-(4-hydroxy-3-methylanilino)ethyl]-1,5-dimethyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one

6-[1-(4-hydroxy-3-methylanilino)ethyl]-1,5-dimethyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 68809758) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 6-[1-(4-hydroxy-3-methylanilino)ethyl]-1,5-dimethyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[1-(4-hydroxy-3-methylanilino)ethyl]-1,5-dimethyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one
PubChem CID68809758
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name6-[1-(4-hydroxy-3-methylanilino)ethyl]-1,5-dimethyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)n(C(C)Nc3ccc(O)c(C)c3)c(C)nc12
InChIInChI=1S/C19H25N5O2/c1-6-7-15-17-18(23(5)22-15)19(26)24(13(4)21-17)12(3)20-14-8-9-16(25)11(2)10-14/h8-10,12,20,25H,6-7H2,1-5H3
InChIKeyYVXYVTLJYLVDQC-UHFFFAOYSA-N
XLogP3.04
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-hydroxy-3-methylanilino)ethyl]-1,5-dimethyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 6-[1-(4-hydroxy-3-methylanilino)ethyl]-1,5-dimethyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one (CID 68809758) is 6-[1-(4-hydroxy-3-methylanilino)ethyl]-1,5-dimethyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 6-[1-(4-hydroxy-3-methylanilino)ethyl]-1,5-dimethyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 6-[1-(4-hydroxy-3-methylanilino)ethyl]-1,5-dimethyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one is CCCc1nn(C)c2c(=O)n(C(C)Nc3ccc(O)c(C)c3)c(C)nc12.
What is the InChIKey of 6-[1-(4-hydroxy-3-methylanilino)ethyl]-1,5-dimethyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is YVXYVTLJYLVDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-6-7-15-17-18(23(5)22-15)19(26)24(13(4)21-17)12(3)20-14-8-9-16(25)11(2)10-14/h8-10,12,20,25H,6-7H2,1-5H3.
What are the key properties of 6-[1-(4-hydroxy-3-methylanilino)ethyl]-1,5-dimethyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one?
6-[1-(4-hydroxy-3-methylanilino)ethyl]-1,5-dimethyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 355.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-hydroxy-3-methylanilino)ethyl]-1,5-dimethyl-3-propylpyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 68809758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).