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

C11H10ClN5O — CID 134481083

IUPAC2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine
SMILESCc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1
InChIInChI=1S/C11H10ClN5O/c1-6-14-8-9(13-5-7-3-2-4-18-7)16-11(12)17-10(8)15-6/h2-4H,5H2,1H3,(H2,13,14,15,16,17)
InChIKeyYVXVXCDFFRMOAA-UHFFFAOYSA-N
MW263.69 g/mol
LogP2.52
Rot. Bonds3

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

2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine (PubChem CID 134481083) has the molecular formula C11H10ClN5O and a molecular weight of 263.69 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine
PubChem CID134481083
Molecular FormulaC11H10ClN5O
Molecular Weight263.69 g/mol
Exact Mass263.06
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine
SMILESCc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1
InChIInChI=1S/C11H10ClN5O/c1-6-14-8-9(13-5-7-3-2-4-18-7)16-11(12)17-10(8)15-6/h2-4H,5H2,1H3,(H2,13,14,15,16,17)
InChIKeyYVXVXCDFFRMOAA-UHFFFAOYSA-N
XLogP2.52
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-(2-aminoethyl)-2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine
CID 140866792
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-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
CID 7147199
2-chloro-N-(furan-2-ylmethyl)-8-[[(2S)-oxolan-2-yl]methoxy]-7H-purin-6-amine
CID 134480891
6-chloro-4-N-ethyl-2-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1146272
2-chloro-5-fluoro-N-(furan-2-ylmethyl)-6-[2-(methylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 164865792
2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol
CID 171561832
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
6-(2-aminopropyl)-2-chloro-N-(furan-2-ylmethyl)-5,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175574719
5-N-(3-chloro-4-methylphenyl)-6-N-(furan-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 1124708

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine (CID 134481083) is 2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine is Cc1nc2nc(Cl)nc(NCc3ccco3)c2[nH]1.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine?
The InChIKey is YVXVXCDFFRMOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O/c1-6-14-8-9(13-5-7-3-2-4-18-7)16-11(12)17-10(8)15-6/h2-4H,5H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine?
2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine has a molecular weight of 263.69 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine is sourced from PubChem (CID 134481083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).