N,N-dimethyl-2-methylimino-3,5-dihydropurin-6-amine

C8H12N6 — CID 135754494

IUPACN,N-dimethyl-2-methylimino-3,5-dihydropurin-6-amine
SMILESC/N=C1\N=C(N(C)C)C2N=CN=C2N1
InChIInChI=1S/C8H12N6/c1-9-8-12-6-5(10-4-11-6)7(13-8)14(2)3/h4-5H,1-3H3,(H,9,10,11,12)
InChIKeyBKTYCZQXAWCVDK-UHFFFAOYSA-N
MW192.23 g/mol
LogP-0.66
Rot. Bonds

About N,N-dimethyl-2-methylimino-3,5-dihydropurin-6-amine

N,N-dimethyl-2-methylimino-3,5-dihydropurin-6-amine (PubChem CID 135754494) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is N,N-dimethyl-2-methylimino-3,5-dihydropurin-6-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-methylimino-3,5-dihydropurin-6-amine
PubChem CID135754494
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC NameN,N-dimethyl-2-methylimino-3,5-dihydropurin-6-amine
SMILESC/N=C1\N=C(N(C)C)C2N=CN=C2N1
InChIInChI=1S/C8H12N6/c1-9-8-12-6-5(10-4-11-6)7(13-8)14(2)3/h4-5H,1-3H3,(H,9,10,11,12)
InChIKeyBKTYCZQXAWCVDK-UHFFFAOYSA-N
XLogP-0.66
TPSA64.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-methylimino-3,5-dihydropurin-6-amine?
The IUPAC name of N,N-dimethyl-2-methylimino-3,5-dihydropurin-6-amine (CID 135754494) is N,N-dimethyl-2-methylimino-3,5-dihydropurin-6-amine.
What is the SMILES notation for N,N-dimethyl-2-methylimino-3,5-dihydropurin-6-amine?
The canonical SMILES for N,N-dimethyl-2-methylimino-3,5-dihydropurin-6-amine is C/N=C1\N=C(N(C)C)C2N=CN=C2N1.
What is the InChIKey of N,N-dimethyl-2-methylimino-3,5-dihydropurin-6-amine?
The InChIKey is BKTYCZQXAWCVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-9-8-12-6-5(10-4-11-6)7(13-8)14(2)3/h4-5H,1-3H3,(H,9,10,11,12).
What are the key properties of N,N-dimethyl-2-methylimino-3,5-dihydropurin-6-amine?
N,N-dimethyl-2-methylimino-3,5-dihydropurin-6-amine has a molecular weight of 192.23 g/mol, XLogP of -0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-methylimino-3,5-dihydropurin-6-amine is sourced from PubChem (CID 135754494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).