5-(3-aminopropylimino)-N-(1-methylcyclopent-3-en-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-7-amine

C15H24N6 — CID 136621012

IUPAC5-(3-aminopropylimino)-N-(1-methylcyclopent-3-en-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC1(NC2C/C(=N/CCCN)Nc3ccnn32)CC=CC1
InChIInChI=1S/C15H24N6/c1-15(6-2-3-7-15)20-14-11-12(17-9-4-8-16)19-13-5-10-18-21(13)14/h2-3,5,10,14,20H,4,6-9,11,16H2,1H3,(H,17,19)
InChIKeyKYTKVWKDBJFSAP-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.64
Rot. Bonds5

About 5-(3-aminopropylimino)-N-(1-methylcyclopent-3-en-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-7-amine

5-(3-aminopropylimino)-N-(1-methylcyclopent-3-en-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 136621012) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 5-(3-aminopropylimino)-N-(1-methylcyclopent-3-en-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(3-aminopropylimino)-N-(1-methylcyclopent-3-en-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID136621012
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name5-(3-aminopropylimino)-N-(1-methylcyclopent-3-en-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC1(NC2C/C(=N/CCCN)Nc3ccnn32)CC=CC1
InChIInChI=1S/C15H24N6/c1-15(6-2-3-7-15)20-14-11-12(17-9-4-8-16)19-13-5-10-18-21(13)14/h2-3,5,10,14,20H,4,6-9,11,16H2,1H3,(H,17,19)
InChIKeyKYTKVWKDBJFSAP-UHFFFAOYSA-N
XLogP1.64
TPSA80.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropylimino)-N-(1-methylcyclopent-3-en-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(3-aminopropylimino)-N-(1-methylcyclopent-3-en-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-7-amine (CID 136621012) is 5-(3-aminopropylimino)-N-(1-methylcyclopent-3-en-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(3-aminopropylimino)-N-(1-methylcyclopent-3-en-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(3-aminopropylimino)-N-(1-methylcyclopent-3-en-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-7-amine is CC1(NC2C/C(=N/CCCN)Nc3ccnn32)CC=CC1.
What is the InChIKey of 5-(3-aminopropylimino)-N-(1-methylcyclopent-3-en-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KYTKVWKDBJFSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-15(6-2-3-7-15)20-14-11-12(17-9-4-8-16)19-13-5-10-18-21(13)14/h2-3,5,10,14,20H,4,6-9,11,16H2,1H3,(H,17,19).
What are the key properties of 5-(3-aminopropylimino)-N-(1-methylcyclopent-3-en-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-7-amine?
5-(3-aminopropylimino)-N-(1-methylcyclopent-3-en-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 288.40 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropylimino)-N-(1-methylcyclopent-3-en-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 136621012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).