N'-(6-chloro-7H-purin-2-yl)-N,N-diethylmethanimidamide

C10H13ClN6 — CID 19917431

IUPACN'-(6-chloro-7H-purin-2-yl)-N,N-diethylmethanimidamide
SMILESCCN(/C=N/c1nc(Cl)c2[nH]cnc2n1)CC
InChIInChI=1S/C10H13ClN6/c1-3-17(4-2)6-14-10-15-8(11)7-9(16-10)13-5-12-7/h5-6H,3-4H2,1-2H3,(H,12,13,15,16)/b14-6+
InChIKeyGVXBCNKEPFKJTH-MKMNVTDBSA-N
MW252.71 g/mol
LogP2.01
Rot. Bonds4

About N'-(6-chloro-7H-purin-2-yl)-N,N-diethylmethanimidamide

N'-(6-chloro-7H-purin-2-yl)-N,N-diethylmethanimidamide (PubChem CID 19917431) has the molecular formula C10H13ClN6 and a molecular weight of 252.71 g/mol. Its IUPAC name is N'-(6-chloro-7H-purin-2-yl)-N,N-diethylmethanimidamide.

Molecular Properties

Compound NameN'-(6-chloro-7H-purin-2-yl)-N,N-diethylmethanimidamide
PubChem CID19917431
Molecular FormulaC10H13ClN6
Molecular Weight252.71 g/mol
Exact Mass252.09
IUPAC NameN'-(6-chloro-7H-purin-2-yl)-N,N-diethylmethanimidamide
SMILESCCN(/C=N/c1nc(Cl)c2[nH]cnc2n1)CC
InChIInChI=1S/C10H13ClN6/c1-3-17(4-2)6-14-10-15-8(11)7-9(16-10)13-5-12-7/h5-6H,3-4H2,1-2H3,(H,12,13,15,16)/b14-6+
InChIKeyGVXBCNKEPFKJTH-MKMNVTDBSA-N
XLogP2.01
TPSA70.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(dimethylaminomethylideneamino)-7H-purin-6-yl]-N,N-dimethylmethanimidamide
CID 91192288
6-chloro-2-nitroso-7H-purine
CID 174878246
2,6-dichloro-7H-purine
CID 10750289
6-chloro-2-pentyl-7H-purine
CID 10978232
potassium;2,6-dichloro-7H-purine;hydride
CID 173320369
2,6-dichloro-7H-purine;tetrabutylazanium
CID 87468349
6-chloro-7H-purine
CID 53349102
6-chloro-7H-purine
CID 5359277
6-(ethylideneamino)-7H-purin-2-amine
CID 174743190
2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine
CID 104787141
N-(6-chloro-7H-purin-2-yl)heptanamide
CID 114052494
5-chloro-7-ethyl-1H-imidazo[4,5-b]pyridine
CID 177331332

Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-7H-purin-2-yl)-N,N-diethylmethanimidamide?
The IUPAC name of N'-(6-chloro-7H-purin-2-yl)-N,N-diethylmethanimidamide (CID 19917431) is N'-(6-chloro-7H-purin-2-yl)-N,N-diethylmethanimidamide.
What is the SMILES notation for N'-(6-chloro-7H-purin-2-yl)-N,N-diethylmethanimidamide?
The canonical SMILES for N'-(6-chloro-7H-purin-2-yl)-N,N-diethylmethanimidamide is CCN(/C=N/c1nc(Cl)c2[nH]cnc2n1)CC.
What is the InChIKey of N'-(6-chloro-7H-purin-2-yl)-N,N-diethylmethanimidamide?
The InChIKey is GVXBCNKEPFKJTH-MKMNVTDBSA-N. The full InChI is InChI=1S/C10H13ClN6/c1-3-17(4-2)6-14-10-15-8(11)7-9(16-10)13-5-12-7/h5-6H,3-4H2,1-2H3,(H,12,13,15,16)/b14-6+.
What are the key properties of N'-(6-chloro-7H-purin-2-yl)-N,N-diethylmethanimidamide?
N'-(6-chloro-7H-purin-2-yl)-N,N-diethylmethanimidamide has a molecular weight of 252.71 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-7H-purin-2-yl)-N,N-diethylmethanimidamide is sourced from PubChem (CID 19917431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).