1-methyl-5-[5-(propylamino)hexyl]pyrazolo[5,4-d]pyrimidin-4-one

C15H25N5O — CID 63277018

IUPAC1-methyl-5-[5-(propylamino)hexyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCNC(C)CCCCn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C15H25N5O/c1-4-8-16-12(2)7-5-6-9-20-11-17-14-13(15(20)21)10-18-19(14)3/h10-12,16H,4-9H2,1-3H3
InChIKeyIXNUPRCUQNWDNU-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.69
Rot. Bonds8

About 1-methyl-5-[5-(propylamino)hexyl]pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-5-[5-(propylamino)hexyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 63277018) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-methyl-5-[5-(propylamino)hexyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-5-[5-(propylamino)hexyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID63277018
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-methyl-5-[5-(propylamino)hexyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCNC(C)CCCCn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C15H25N5O/c1-4-8-16-12(2)7-5-6-9-20-11-17-14-13(15(20)21)10-18-19(14)3/h10-12,16H,4-9H2,1-3H3
InChIKeyIXNUPRCUQNWDNU-UHFFFAOYSA-N
XLogP1.69
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[5-(propylamino)hexyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-5-[5-(propylamino)hexyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 63277018) is 1-methyl-5-[5-(propylamino)hexyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-5-[5-(propylamino)hexyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-5-[5-(propylamino)hexyl]pyrazolo[5,4-d]pyrimidin-4-one is CCCNC(C)CCCCn1cnc2c(cnn2C)c1=O.
What is the InChIKey of 1-methyl-5-[5-(propylamino)hexyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is IXNUPRCUQNWDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-4-8-16-12(2)7-5-6-9-20-11-17-14-13(15(20)21)10-18-19(14)3/h10-12,16H,4-9H2,1-3H3.
What are the key properties of 1-methyl-5-[5-(propylamino)hexyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-5-[5-(propylamino)hexyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 291.40 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[5-(propylamino)hexyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 63277018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).