3-[5-(3-aminopropylamino)pentyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one

C15H25N5O — CID 118527443

IUPAC3-[5-(3-aminopropylamino)pentyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESCc1cc2cn(CCCCCNCCCN)c(=O)nc2[nH]1
InChIInChI=1S/C15H25N5O/c1-12-10-13-11-20(15(21)19-14(13)18-12)9-4-2-3-7-17-8-5-6-16/h10-11,17H,2-9,16H2,1H3,(H,18,19,21)
InChIKeyVLJHKOVKSDDRMR-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.14
Rot. Bonds9

About 3-[5-(3-aminopropylamino)pentyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one

3-[5-(3-aminopropylamino)pentyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 118527443) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-[5-(3-aminopropylamino)pentyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name3-[5-(3-aminopropylamino)pentyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
PubChem CID118527443
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name3-[5-(3-aminopropylamino)pentyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
SMILESCc1cc2cn(CCCCCNCCCN)c(=O)nc2[nH]1
InChIInChI=1S/C15H25N5O/c1-12-10-13-11-20(15(21)19-14(13)18-12)9-4-2-3-7-17-8-5-6-16/h10-11,17H,2-9,16H2,1H3,(H,18,19,21)
InChIKeyVLJHKOVKSDDRMR-UHFFFAOYSA-N
XLogP1.14
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[5-(3-aminopropylamino)pentyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-aminopropylamino)pentyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 3-[5-(3-aminopropylamino)pentyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one (CID 118527443) is 3-[5-(3-aminopropylamino)pentyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 3-[5-(3-aminopropylamino)pentyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 3-[5-(3-aminopropylamino)pentyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one is Cc1cc2cn(CCCCCNCCCN)c(=O)nc2[nH]1.
What is the InChIKey of 3-[5-(3-aminopropylamino)pentyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is VLJHKOVKSDDRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-12-10-13-11-20(15(21)19-14(13)18-12)9-4-2-3-7-17-8-5-6-16/h10-11,17H,2-9,16H2,1H3,(H,18,19,21).
What are the key properties of 3-[5-(3-aminopropylamino)pentyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one?
3-[5-(3-aminopropylamino)pentyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 291.40 g/mol, XLogP of 1.14, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-aminopropylamino)pentyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 118527443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).