6-[3-(2-aminoethyl)phenyl]-7H-purin-2-amine

C13H14N6 — CID 39756778

IUPAC6-[3-(2-aminoethyl)phenyl]-7H-purin-2-amine
SMILESNCCc1cccc(-c2nc(N)nc3nc[nH]c23)c1
InChIInChI=1S/C13H14N6/c14-5-4-8-2-1-3-9(6-8)10-11-12(17-7-16-11)19-13(15)18-10/h1-3,6-7H,4-5,14H2,(H3,15,16,17,18,19)
InChIKeyVMFLZSBKZYZTLO-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.10
Rot. Bonds3

About 6-[3-(2-aminoethyl)phenyl]-7H-purin-2-amine

6-[3-(2-aminoethyl)phenyl]-7H-purin-2-amine (PubChem CID 39756778) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 6-[3-(2-aminoethyl)phenyl]-7H-purin-2-amine.

Molecular Properties

Compound Name6-[3-(2-aminoethyl)phenyl]-7H-purin-2-amine
PubChem CID39756778
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name6-[3-(2-aminoethyl)phenyl]-7H-purin-2-amine
SMILESNCCc1cccc(-c2nc(N)nc3nc[nH]c23)c1
InChIInChI=1S/C13H14N6/c14-5-4-8-2-1-3-9(6-8)10-11-12(17-7-16-11)19-13(15)18-10/h1-3,6-7H,4-5,14H2,(H3,15,16,17,18,19)
InChIKeyVMFLZSBKZYZTLO-UHFFFAOYSA-N
XLogP1.10
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[4-(2-aminoethyl)phenyl]methoxy]-7H-purin-2-amine
CID 146985461
6-(2-methoxy-4-pyridinyl)-7H-purin-2-amine
CID 114052406
4-[[6-[3-(aminomethyl)phenyl]-7H-purin-2-yl]amino]benzenesulfonamide
CID 164577972
6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine
CID 5329518
6-[(3-aminophenyl)methoxy]-7H-purin-2-amine
CID 5329517
6-[(3-iodophenyl)methoxy]-7H-purin-2-amine
CID 11530724
2-(3-pyridin-2-ylphenyl)ethanamine
CID 39226476
6-(3-ethylphenoxy)-7H-purin-2-amine
CID 114786919
3-(7H-purin-6-yl)aniline
CID 71426821
6-N-methyl-6-N-(2-phenylethyl)-7H-purine-2,6-diamine
CID 44776717
2-chloro-6-(3-fluorophenyl)-7H-purine
CID 22309609
(2-amino-7H-purin-6-yl)methanol
CID 11593490

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-aminoethyl)phenyl]-7H-purin-2-amine?
The IUPAC name of 6-[3-(2-aminoethyl)phenyl]-7H-purin-2-amine (CID 39756778) is 6-[3-(2-aminoethyl)phenyl]-7H-purin-2-amine.
What is the SMILES notation for 6-[3-(2-aminoethyl)phenyl]-7H-purin-2-amine?
The canonical SMILES for 6-[3-(2-aminoethyl)phenyl]-7H-purin-2-amine is NCCc1cccc(-c2nc(N)nc3nc[nH]c23)c1.
What is the InChIKey of 6-[3-(2-aminoethyl)phenyl]-7H-purin-2-amine?
The InChIKey is VMFLZSBKZYZTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c14-5-4-8-2-1-3-9(6-8)10-11-12(17-7-16-11)19-13(15)18-10/h1-3,6-7H,4-5,14H2,(H3,15,16,17,18,19).
What are the key properties of 6-[3-(2-aminoethyl)phenyl]-7H-purin-2-amine?
6-[3-(2-aminoethyl)phenyl]-7H-purin-2-amine has a molecular weight of 254.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-aminoethyl)phenyl]-7H-purin-2-amine is sourced from PubChem (CID 39756778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).