N-prop-2-enyl-3,5-dihydropurin-6-imine

C8H9N5 — CID 135754506

IUPACN-prop-2-enyl-3,5-dihydropurin-6-imine
SMILESC=CC/N=C1\N=CNC2=NC=NC21
InChIInChI=1S/C8H9N5/c1-2-3-9-7-6-8(11-4-10-6)13-5-12-7/h2,4-6H,1,3H2,(H,9,10,11,12,13)
InChIKeyQKMZBVNPJHCWMX-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.01
Rot. Bonds2

About N-prop-2-enyl-3,5-dihydropurin-6-imine

N-prop-2-enyl-3,5-dihydropurin-6-imine (PubChem CID 135754506) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is N-prop-2-enyl-3,5-dihydropurin-6-imine.

Molecular Properties

Compound NameN-prop-2-enyl-3,5-dihydropurin-6-imine
PubChem CID135754506
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC NameN-prop-2-enyl-3,5-dihydropurin-6-imine
SMILESC=CC/N=C1\N=CNC2=NC=NC21
InChIInChI=1S/C8H9N5/c1-2-3-9-7-6-8(11-4-10-6)13-5-12-7/h2,4-6H,1,3H2,(H,9,10,11,12,13)
InChIKeyQKMZBVNPJHCWMX-UHFFFAOYSA-N
XLogP0.01
TPSA61.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4,5-dihydro-1H-imidazol-2-yl)-1,4-bis(prop-2-enyl)piperazine
CID 10799723
(4S,5S)-N-(3-methylbut-2-enyl)-1,4,5,7-tetrahydropurin-6-imine
CID 162976881
(4S,5S)-N-(3-methylbut-2-enyl)-1,4,5,9-tetrahydropurin-6-imine
CID 176537883
N-(3-methylbut-2-enyl)-3,5-dihydropurin-6-imine
CID 135747543
N-(3-methylbut-2-enyl)-1,4,5,7-tetrahydropurin-6-imine
CID 137270780
2-(4,5-dihydro-1H-imidazol-2-yl)-N'-prop-2-enylethanimidamide
CID 12446246
3A,7a-dihydro-1H-imidazo[4,5-c]pyridin-4-amine
CID 45120646
N-[2-(4-methyl-3-prop-2-enyl-4,5-dihydro-1H-imidazol-3-ium-2-yl)ethyl]prop-2-en-1-amine
CID 88847086
(3aS,7aR)-3a,7a-dihydro-1H-imidazo[4,5-c]pyridin-4-amine
CID 93512524
(3aR,7aR)-3a,7a-dihydro-1H-imidazo[4,5-c]pyridin-4-amine
CID 93512525
(3aS,7aS)-3a,7a-dihydro-1H-imidazo[4,5-c]pyridin-4-amine
CID 93512526
(3aR,7aS)-3a,7a-dihydro-1H-imidazo[4,5-c]pyridin-4-amine
CID 93512527

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-3,5-dihydropurin-6-imine?
The IUPAC name of N-prop-2-enyl-3,5-dihydropurin-6-imine (CID 135754506) is N-prop-2-enyl-3,5-dihydropurin-6-imine.
What is the SMILES notation for N-prop-2-enyl-3,5-dihydropurin-6-imine?
The canonical SMILES for N-prop-2-enyl-3,5-dihydropurin-6-imine is C=CC/N=C1\N=CNC2=NC=NC21.
What is the InChIKey of N-prop-2-enyl-3,5-dihydropurin-6-imine?
The InChIKey is QKMZBVNPJHCWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-2-3-9-7-6-8(11-4-10-6)13-5-12-7/h2,4-6H,1,3H2,(H,9,10,11,12,13).
What are the key properties of N-prop-2-enyl-3,5-dihydropurin-6-imine?
N-prop-2-enyl-3,5-dihydropurin-6-imine has a molecular weight of 175.19 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-3,5-dihydropurin-6-imine is sourced from PubChem (CID 135754506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).