N,9-dimethyl-2,3-dihydro-1H-purin-6-imine

C7H11N5 — CID 148696430

IUPACN,9-dimethyl-2,3-dihydro-1H-purin-6-imine
SMILESC/N=C1\NCNc2c1ncn2C
InChIInChI=1S/C7H11N5/c1-8-6-5-7(10-3-9-6)12(2)4-11-5/h4,10H,3H2,1-2H3,(H,8,9)
InChIKeyNUMWNKDHXFEVBP-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.23
Rot. Bonds

About N,9-dimethyl-2,3-dihydro-1H-purin-6-imine

N,9-dimethyl-2,3-dihydro-1H-purin-6-imine (PubChem CID 148696430) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is N,9-dimethyl-2,3-dihydro-1H-purin-6-imine.

Molecular Properties

Compound NameN,9-dimethyl-2,3-dihydro-1H-purin-6-imine
PubChem CID148696430
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC NameN,9-dimethyl-2,3-dihydro-1H-purin-6-imine
SMILESC/N=C1\NCNc2c1ncn2C
InChIInChI=1S/C7H11N5/c1-8-6-5-7(10-3-9-6)12(2)4-11-5/h4,10H,3H2,1-2H3,(H,8,9)
InChIKeyNUMWNKDHXFEVBP-UHFFFAOYSA-N
XLogP-0.23
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-methyl-2,3-dihydro-1H-purin-6-one
CID 121345580
3-methyl-4,5-dihydrocyclopenta[d]imidazol-6-one
CID 83872240
3,7-dimethyl-8,9-dihydropurin-6-one
CID 174323807
2,9-dimethyl-3,6-dihydropurine
CID 142059765
2-fluoro-2,9-dimethyl-3H-purin-6-amine
CID 167120993
9-methyl-3,6-dihydropurin-6-amine
CID 59926192
6,7-dimethyl-1,2,3,6-tetrahydropurine
CID 126557568
methane;1,4,5-trimethylimidazole
CID 157422671
N,1,3-trimethylimidazol-2-imine
CID 23104077
N,3-dimethylpyrimidin-4-imine
CID 135258649
N,9-dimethyl-2,3-dihydropurin-2-id-6-imine;yttrium(3+)
CID 135843130
3-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine
CID 58398166

Frequently Asked Questions

What is the IUPAC name of N,9-dimethyl-2,3-dihydro-1H-purin-6-imine?
The IUPAC name of N,9-dimethyl-2,3-dihydro-1H-purin-6-imine (CID 148696430) is N,9-dimethyl-2,3-dihydro-1H-purin-6-imine.
What is the SMILES notation for N,9-dimethyl-2,3-dihydro-1H-purin-6-imine?
The canonical SMILES for N,9-dimethyl-2,3-dihydro-1H-purin-6-imine is C/N=C1\NCNc2c1ncn2C.
What is the InChIKey of N,9-dimethyl-2,3-dihydro-1H-purin-6-imine?
The InChIKey is NUMWNKDHXFEVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c1-8-6-5-7(10-3-9-6)12(2)4-11-5/h4,10H,3H2,1-2H3,(H,8,9).
What are the key properties of N,9-dimethyl-2,3-dihydro-1H-purin-6-imine?
N,9-dimethyl-2,3-dihydro-1H-purin-6-imine has a molecular weight of 165.20 g/mol, XLogP of -0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-dimethyl-2,3-dihydro-1H-purin-6-imine is sourced from PubChem (CID 148696430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).