N,N-diethyl-7H-purin-2-amine

C9H13N5 — CID 22916630

IUPACN,N-diethyl-7H-purin-2-amine
SMILESCCN(CC)c1ncc2[nH]cnc2n1
InChIInChI=1S/C9H13N5/c1-3-14(4-2)9-10-5-7-8(13-9)12-6-11-7/h5-6H,3-4H2,1-2H3,(H,10,11,12,13)
InChIKeyAEKLNDWDOJGCQM-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.20
Rot. Bonds3

About N,N-diethyl-7H-purin-2-amine

N,N-diethyl-7H-purin-2-amine (PubChem CID 22916630) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is N,N-diethyl-7H-purin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-7H-purin-2-amine
PubChem CID22916630
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC NameN,N-diethyl-7H-purin-2-amine
SMILESCCN(CC)c1ncc2[nH]cnc2n1
InChIInChI=1S/C9H13N5/c1-3-14(4-2)9-10-5-7-8(13-9)12-6-11-7/h5-6H,3-4H2,1-2H3,(H,10,11,12,13)
InChIKeyAEKLNDWDOJGCQM-UHFFFAOYSA-N
XLogP1.20
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-7H-purin-2-amine?
The IUPAC name of N,N-diethyl-7H-purin-2-amine (CID 22916630) is N,N-diethyl-7H-purin-2-amine.
What is the SMILES notation for N,N-diethyl-7H-purin-2-amine?
The canonical SMILES for N,N-diethyl-7H-purin-2-amine is CCN(CC)c1ncc2[nH]cnc2n1.
What is the InChIKey of N,N-diethyl-7H-purin-2-amine?
The InChIKey is AEKLNDWDOJGCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-3-14(4-2)9-10-5-7-8(13-9)12-6-11-7/h5-6H,3-4H2,1-2H3,(H,10,11,12,13).
What are the key properties of N,N-diethyl-7H-purin-2-amine?
N,N-diethyl-7H-purin-2-amine has a molecular weight of 191.24 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-7H-purin-2-amine is sourced from PubChem (CID 22916630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).