N-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one

C13H15N5O2 — CID 141179189

IUPACN-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one
SMILESCC(C)=O.c1coc(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C10H9N5O.C3H6O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;1-3(2)4/h1-3,5-6H,4H2,(H2,11,12,13,14,15);1-2H3
InChIKeyTVZLUZPEUHVSCX-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.15
Rot. Bonds3

About N-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one

N-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one (PubChem CID 141179189) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one
PubChem CID141179189
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one
SMILESCC(C)=O.c1coc(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C10H9N5O.C3H6O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;1-3(2)4/h1-3,5-6H,4H2,(H2,11,12,13,14,15);1-2H3
InChIKeyTVZLUZPEUHVSCX-UHFFFAOYSA-N
XLogP2.15
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-7H-purin-6-amine;urea
CID 68661345
N-[6-(furan-2-ylmethylamino)-7H-purin-2-yl]acetamide
CID 118310080
2-(2,4-dichlorophenoxy)acetic acid;N-(furan-2-ylmethyl)-7H-purin-6-amine
CID 67759594
N-(furan-2-ylmethyl)-2-(7H-purin-6-ylsulfanyl)acetamide
CID 3701880
N-(furan-2-ylmethyl)-7H-purin-6-amine;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)purin-9-yl]oxolane-3,4-diol
CID 67324836
2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol
CID 69242881
N-(furan-2-ylmethyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
CID 162654166
3-(furan-2-ylmethyl)-2,4-dioxo-N-(7H-purin-6-yl)-1H-pyrimidine-5-carboxamide
CID 121025932
(7H-purin-6-ylamino)methanol
CID 86209273
N-[(2-amino-6-chlorophenyl)methyl]-7H-purin-6-amine
CID 69242166
N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 154681081
N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine
CID 69240317

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one?
The IUPAC name of N-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one (CID 141179189) is N-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one.
What is the SMILES notation for N-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one?
The canonical SMILES for N-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one is CC(C)=O.c1coc(CNc2ncnc3nc[nH]c23)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one?
The InChIKey is TVZLUZPEUHVSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O.C3H6O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;1-3(2)4/h1-3,5-6H,4H2,(H2,11,12,13,14,15);1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one?
N-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one has a molecular weight of 273.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one is sourced from PubChem (CID 141179189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).