2-[[3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-ylidene]amino]ethanamine

C14H14Cl2N6 — CID 138740815

IUPAC2-[[3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-ylidene]amino]ethanamine
SMILESNCC/N=c1\ncn(Cc2c(Cl)cccc2Cl)c2nc[nH]c12
InChIInChI=1S/C14H14Cl2N6/c15-10-2-1-3-11(16)9(10)6-22-8-21-13(18-5-4-17)12-14(22)20-7-19-12/h1-3,7-8H,4-6,17H2,(H,19,20)/b18-13-
InChIKeyLWVZWBXJGJBIMW-AQTBWJFISA-N
MW337.21 g/mol
LogP1.97
Rot. Bonds4

About 2-[[3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-ylidene]amino]ethanamine

2-[[3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-ylidene]amino]ethanamine (PubChem CID 138740815) has the molecular formula C14H14Cl2N6 and a molecular weight of 337.21 g/mol. Its IUPAC name is 2-[[3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-ylidene]amino]ethanamine.

Molecular Properties

Compound Name2-[[3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-ylidene]amino]ethanamine
PubChem CID138740815
Molecular FormulaC14H14Cl2N6
Molecular Weight337.21 g/mol
Exact Mass336.07
IUPAC Name2-[[3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-ylidene]amino]ethanamine
SMILESNCC/N=c1\ncn(Cc2c(Cl)cccc2Cl)c2nc[nH]c12
InChIInChI=1S/C14H14Cl2N6/c15-10-2-1-3-11(16)9(10)6-22-8-21-13(18-5-4-17)12-14(22)20-7-19-12/h1-3,7-8H,4-6,17H2,(H,19,20)/b18-13-
InChIKeyLWVZWBXJGJBIMW-AQTBWJFISA-N
XLogP1.97
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,6-dichlorophenyl)methyl]-N-(pyridin-2-ylmethyl)-7H-purin-6-imine
CID 138740842
N-cyclopropyl-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine
CID 138740717
4-chloro-7H-pyrrolo[3,2-d]pyrimidine;1,3-dichloro-2-(chloromethyl)benzene;3-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)-7H-purin-6-imine;3-methoxypropan-1-amine;N-(3-methoxypropyl)-7H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 159438699
9-[(2-chloro-6-fluorophenyl)methyl]purin-6-(15N)amine
CID 172677263
8-bromo-3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-imine
CID 138740716
3-[(2,6-dichlorophenyl)methyl]-8-methyl-7H-purin-6-imine
CID 138740655
2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole
CID 62223786
[3-[(2-chloro-6-fluorophenyl)methyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]methanamine
CID 24764792
N-[(2-amino-6-chlorophenyl)methyl]-7H-purin-6-amine
CID 69242166
6-chloro-3-[(2-chloro-6-fluorophenyl)methyl]-5-iodopyrimidin-4-one
CID 114584062
3-[(2,6-dichlorophenyl)methyl]-8-piperidin-4-yl-7H-purin-6-imine
CID 138740694
N-[3-[(2,6-dichlorophenyl)methyl]-8,9-dihydro-7H-purin-6-ylidene]pyridine-2-carboxamide
CID 139308583

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-ylidene]amino]ethanamine?
The IUPAC name of 2-[[3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-ylidene]amino]ethanamine (CID 138740815) is 2-[[3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-ylidene]amino]ethanamine.
What is the SMILES notation for 2-[[3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-ylidene]amino]ethanamine?
The canonical SMILES for 2-[[3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-ylidene]amino]ethanamine is NCC/N=c1\ncn(Cc2c(Cl)cccc2Cl)c2nc[nH]c12.
What is the InChIKey of 2-[[3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-ylidene]amino]ethanamine?
The InChIKey is LWVZWBXJGJBIMW-AQTBWJFISA-N. The full InChI is InChI=1S/C14H14Cl2N6/c15-10-2-1-3-11(16)9(10)6-22-8-21-13(18-5-4-17)12-14(22)20-7-19-12/h1-3,7-8H,4-6,17H2,(H,19,20)/b18-13-.
What are the key properties of 2-[[3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-ylidene]amino]ethanamine?
2-[[3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-ylidene]amino]ethanamine has a molecular weight of 337.21 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2,6-dichlorophenyl)methyl]-7H-purin-6-ylidene]amino]ethanamine is sourced from PubChem (CID 138740815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).