8-(2-aminoethyl)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine

C12H13ClN6O — CID 140866792

IUPAC8-(2-aminoethyl)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine
SMILESNCCc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1
InChIInChI=1S/C12H13ClN6O/c13-12-18-10(15-6-7-2-1-5-20-7)9-11(19-12)17-8(16-9)3-4-14/h1-2,5H,3-4,6,14H2,(H2,15,16,17,18,19)
InChIKeyYGUATFMKOLZUDJ-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.71
Rot. Bonds5

About 8-(2-aminoethyl)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine

8-(2-aminoethyl)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine (PubChem CID 140866792) has the molecular formula C12H13ClN6O and a molecular weight of 292.73 g/mol. Its IUPAC name is 8-(2-aminoethyl)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(2-aminoethyl)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine
PubChem CID140866792
Molecular FormulaC12H13ClN6O
Molecular Weight292.73 g/mol
Exact Mass292.08
IUPAC Name8-(2-aminoethyl)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine
SMILESNCCc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1
InChIInChI=1S/C12H13ClN6O/c13-12-18-10(15-6-7-2-1-5-20-7)9-11(19-12)17-8(16-9)3-4-14/h1-2,5H,3-4,6,14H2,(H2,15,16,17,18,19)
InChIKeyYGUATFMKOLZUDJ-UHFFFAOYSA-N
XLogP1.71
TPSA105.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine
CID 134481083
2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol
CID 134480627
2-chloro-N-(furan-2-ylmethyl)-8-phenylmethoxy-7H-purin-6-amine
CID 134480957
2-chloro-N-(furan-2-ylmethyl)-8-[[(2S)-oxolan-2-yl]methoxy]-7H-purin-6-amine
CID 134480891
2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
CID 7147199
2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol
CID 171561832
2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-[2-(methylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 164865792
6-(2-aminobutyl)-2-chloro-5-fluoro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175574693
6-[(2R,3S)-2-amino-3-methylpentyl]-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 164865754
6-(2-amino-3-methylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 175574716
6-(2-amino-3,3-dimethylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175574698
2-chloro-7-ethenyl-N-(furan-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 170644676

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethyl)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine?
The IUPAC name of 8-(2-aminoethyl)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine (CID 140866792) is 8-(2-aminoethyl)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine.
What is the SMILES notation for 8-(2-aminoethyl)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine?
The canonical SMILES for 8-(2-aminoethyl)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine is NCCc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.
What is the InChIKey of 8-(2-aminoethyl)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine?
The InChIKey is YGUATFMKOLZUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN6O/c13-12-18-10(15-6-7-2-1-5-20-7)9-11(19-12)17-8(16-9)3-4-14/h1-2,5H,3-4,6,14H2,(H2,15,16,17,18,19).
What are the key properties of 8-(2-aminoethyl)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine?
8-(2-aminoethyl)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine has a molecular weight of 292.73 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethyl)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 140866792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).