N,N-bis(methylamino)-7H-purin-6-amine

C7H11N7 — CID 66676633

IUPACN,N-bis(methylamino)-7H-purin-6-amine
SMILESCNN(NC)c1ncnc2nc[nH]c12
InChIInChI=1S/C7H11N7/c1-8-14(9-2)7-5-6(11-3-10-5)12-4-13-7/h3-4,8-9H,1-2H3,(H,10,11,12,13)
InChIKeyLMQNVRFPSDEUFK-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.57
Rot. Bonds3

About N,N-bis(methylamino)-7H-purin-6-amine

N,N-bis(methylamino)-7H-purin-6-amine (PubChem CID 66676633) has the molecular formula C7H11N7 and a molecular weight of 193.21 g/mol. Its IUPAC name is N,N-bis(methylamino)-7H-purin-6-amine.

Molecular Properties

Compound NameN,N-bis(methylamino)-7H-purin-6-amine
PubChem CID66676633
Molecular FormulaC7H11N7
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC NameN,N-bis(methylamino)-7H-purin-6-amine
SMILESCNN(NC)c1ncnc2nc[nH]c12
InChIInChI=1S/C7H11N7/c1-8-14(9-2)7-5-6(11-3-10-5)12-4-13-7/h3-4,8-9H,1-2H3,(H,10,11,12,13)
InChIKeyLMQNVRFPSDEUFK-UHFFFAOYSA-N
XLogP-0.57
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(methylamino)-7H-purin-6-amine?
The IUPAC name of N,N-bis(methylamino)-7H-purin-6-amine (CID 66676633) is N,N-bis(methylamino)-7H-purin-6-amine.
What is the SMILES notation for N,N-bis(methylamino)-7H-purin-6-amine?
The canonical SMILES for N,N-bis(methylamino)-7H-purin-6-amine is CNN(NC)c1ncnc2nc[nH]c12.
What is the InChIKey of N,N-bis(methylamino)-7H-purin-6-amine?
The InChIKey is LMQNVRFPSDEUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N7/c1-8-14(9-2)7-5-6(11-3-10-5)12-4-13-7/h3-4,8-9H,1-2H3,(H,10,11,12,13).
What are the key properties of N,N-bis(methylamino)-7H-purin-6-amine?
N,N-bis(methylamino)-7H-purin-6-amine has a molecular weight of 193.21 g/mol, XLogP of -0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(methylamino)-7H-purin-6-amine is sourced from PubChem (CID 66676633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).