N-benzyl-2-chloro-N-ethyl-7H-purin-6-amine

C14H14ClN5 — CID 104787062

IUPACN-benzyl-2-chloro-N-ethyl-7H-purin-6-amine
SMILESCCN(Cc1ccccc1)c1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C14H14ClN5/c1-2-20(8-10-6-4-3-5-7-10)13-11-12(17-9-16-11)18-14(15)19-13/h3-7,9H,2,8H2,1H3,(H,16,17,18,19)
InChIKeyZSHKSDFFTURXOC-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.03
Rot. Bonds4

About N-benzyl-2-chloro-N-ethyl-7H-purin-6-amine

N-benzyl-2-chloro-N-ethyl-7H-purin-6-amine (PubChem CID 104787062) has the molecular formula C14H14ClN5 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-ethyl-7H-purin-6-amine.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-ethyl-7H-purin-6-amine
PubChem CID104787062
Molecular FormulaC14H14ClN5
Molecular Weight287.75 g/mol
Exact Mass287.09
IUPAC NameN-benzyl-2-chloro-N-ethyl-7H-purin-6-amine
SMILESCCN(Cc1ccccc1)c1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C14H14ClN5/c1-2-20(8-10-6-4-3-5-7-10)13-11-12(17-9-16-11)18-14(15)19-13/h3-7,9H,2,8H2,1H3,(H,16,17,18,19)
InChIKeyZSHKSDFFTURXOC-UHFFFAOYSA-N
XLogP3.03
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-chloro-N-(naphthalen-1-ylmethyl)-7H-purin-6-amine
CID 141230720
2-chloro-N-ethyl-N-(furan-2-ylmethyl)-7H-purin-6-amine
CID 104787205
2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine
CID 104787141
2-chloro-N-methyl-N-(pyridin-2-ylmethyl)-7H-purin-6-amine
CID 113453067
2-[(2-amino-7H-purin-6-yl)-benzylamino]ethanol
CID 114784943
4-[benzyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136970724
6-N,6-N-dibenzyl-2-N-(4-butylphenyl)-7H-purine-2,6-diamine
CID 118420609
2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-7H-purin-6-amine
CID 104787282
6-N-ethyl-6-N-[(6-methyl-2-pyridinyl)methyl]-7H-purine-2,6-diamine
CID 114785682
2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine
CID 104787368
N-benzyl-N-[(2,6-dichlorophenyl)methyl]-7H-purin-6-amine
CID 1115257
6-N-benzyl-6-N-propan-2-yl-7H-purine-2,6-diamine
CID 114783307

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-ethyl-7H-purin-6-amine?
The IUPAC name of N-benzyl-2-chloro-N-ethyl-7H-purin-6-amine (CID 104787062) is N-benzyl-2-chloro-N-ethyl-7H-purin-6-amine.
What is the SMILES notation for N-benzyl-2-chloro-N-ethyl-7H-purin-6-amine?
The canonical SMILES for N-benzyl-2-chloro-N-ethyl-7H-purin-6-amine is CCN(Cc1ccccc1)c1nc(Cl)nc2nc[nH]c12.
What is the InChIKey of N-benzyl-2-chloro-N-ethyl-7H-purin-6-amine?
The InChIKey is ZSHKSDFFTURXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5/c1-2-20(8-10-6-4-3-5-7-10)13-11-12(17-9-16-11)18-14(15)19-13/h3-7,9H,2,8H2,1H3,(H,16,17,18,19).
What are the key properties of N-benzyl-2-chloro-N-ethyl-7H-purin-6-amine?
N-benzyl-2-chloro-N-ethyl-7H-purin-6-amine has a molecular weight of 287.75 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-ethyl-7H-purin-6-amine is sourced from PubChem (CID 104787062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).