6-N-[(4-chlorophenyl)methyl]-2-N-ethyl-7H-purine-2,6-diamine

C14H15ClN6 — CID 114783629

IUPAC6-N-[(4-chlorophenyl)methyl]-2-N-ethyl-7H-purine-2,6-diamine
SMILESCCNc1nc(NCc2ccc(Cl)cc2)c2[nH]cnc2n1
InChIInChI=1S/C14H15ClN6/c1-2-16-14-20-12(11-13(21-14)19-8-18-11)17-7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H3,16,17,18,19,20,21)
InChIKeyAGIRBNYQBSMKPS-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.05
Rot. Bonds5

About 6-N-[(4-chlorophenyl)methyl]-2-N-ethyl-7H-purine-2,6-diamine

6-N-[(4-chlorophenyl)methyl]-2-N-ethyl-7H-purine-2,6-diamine (PubChem CID 114783629) has the molecular formula C14H15ClN6 and a molecular weight of 302.77 g/mol. Its IUPAC name is 6-N-[(4-chlorophenyl)methyl]-2-N-ethyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(4-chlorophenyl)methyl]-2-N-ethyl-7H-purine-2,6-diamine
PubChem CID114783629
Molecular FormulaC14H15ClN6
Molecular Weight302.77 g/mol
Exact Mass302.10
IUPAC Name6-N-[(4-chlorophenyl)methyl]-2-N-ethyl-7H-purine-2,6-diamine
SMILESCCNc1nc(NCc2ccc(Cl)cc2)c2[nH]cnc2n1
InChIInChI=1S/C14H15ClN6/c1-2-16-14-20-12(11-13(21-14)19-8-18-11)17-7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H3,16,17,18,19,20,21)
InChIKeyAGIRBNYQBSMKPS-UHFFFAOYSA-N
XLogP3.05
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-6-N-(thiophen-3-ylmethyl)-7H-purine-2,6-diamine
CID 114785152
N-[(4-chlorophenyl)methyl]-2-methylsulfonyl-7H-purin-6-amine
CID 3355812
2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine
CID 114783510
2-N-ethyl-6-N-[(2-methylpyrimidin-4-yl)methyl]-7H-purine-2,6-diamine
CID 114784815
2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine
CID 114785175
2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 117085395
2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]-7H-purine-2,6-diamine
CID 114785046
2-N-ethyl-6-N-[(3-methyl-4-pyridinyl)methyl]-7H-purine-2,6-diamine
CID 114786623
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696
2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
CID 114786528
N-benzyl-2-hydrazinyl-7H-purin-6-amine
CID 131856143
2-N-ethyl-6-N-(4-fluorophenyl)-7H-purine-2,6-diamine
CID 114783490

Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-chlorophenyl)methyl]-2-N-ethyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-[(4-chlorophenyl)methyl]-2-N-ethyl-7H-purine-2,6-diamine (CID 114783629) is 6-N-[(4-chlorophenyl)methyl]-2-N-ethyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-[(4-chlorophenyl)methyl]-2-N-ethyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-[(4-chlorophenyl)methyl]-2-N-ethyl-7H-purine-2,6-diamine is CCNc1nc(NCc2ccc(Cl)cc2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-[(4-chlorophenyl)methyl]-2-N-ethyl-7H-purine-2,6-diamine?
The InChIKey is AGIRBNYQBSMKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6/c1-2-16-14-20-12(11-13(21-14)19-8-18-11)17-7-9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H3,16,17,18,19,20,21).
What are the key properties of 6-N-[(4-chlorophenyl)methyl]-2-N-ethyl-7H-purine-2,6-diamine?
6-N-[(4-chlorophenyl)methyl]-2-N-ethyl-7H-purine-2,6-diamine has a molecular weight of 302.77 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(4-chlorophenyl)methyl]-2-N-ethyl-7H-purine-2,6-diamine is sourced from PubChem (CID 114783629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).