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

C11H13N7O2 — CID 68661345

IUPACN-(furan-2-ylmethyl)-7H-purin-6-amine;urea
SMILESNC(N)=O.c1coc(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C10H9N5O.CH4N2O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;2-1(3)4/h1-3,5-6H,4H2,(H2,11,12,13,14,15);(H4,2,3,4)
InChIKeyQKWYYTOOTMHZMH-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.58
Rot. Bonds3

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

N-(furan-2-ylmethyl)-7H-purin-6-amine;urea (PubChem CID 68661345) has the molecular formula C11H13N7O2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-7H-purin-6-amine;urea.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-7H-purin-6-amine;urea
PubChem CID68661345
Molecular FormulaC11H13N7O2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-(furan-2-ylmethyl)-7H-purin-6-amine;urea
SMILESNC(N)=O.c1coc(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C10H9N5O.CH4N2O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;2-1(3)4/h1-3,5-6H,4H2,(H2,11,12,13,14,15);(H4,2,3,4)
InChIKeyQKWYYTOOTMHZMH-UHFFFAOYSA-N
XLogP0.58
TPSA148.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-7H-purin-6-amine;propan-2-one
CID 141179189
2-(2,4-dichlorophenoxy)acetic acid;N-(furan-2-ylmethyl)-7H-purin-6-amine
CID 67759594
N-[6-(furan-2-ylmethylamino)-7H-purin-2-yl]acetamide
CID 118310080
N-(furan-2-ylmethyl)-2-(7H-purin-6-ylsulfanyl)acetamide
CID 3701880
2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol
CID 69242881
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
2-(7H-purin-6-ylamino)ethyl carbamate
CID 83205529
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
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
(7H-purin-6-ylamino)methanol
CID 86209273

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-7H-purin-6-amine;urea?
The IUPAC name of N-(furan-2-ylmethyl)-7H-purin-6-amine;urea (CID 68661345) is N-(furan-2-ylmethyl)-7H-purin-6-amine;urea.
What is the SMILES notation for N-(furan-2-ylmethyl)-7H-purin-6-amine;urea?
The canonical SMILES for N-(furan-2-ylmethyl)-7H-purin-6-amine;urea is NC(N)=O.c1coc(CNc2ncnc3nc[nH]c23)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-7H-purin-6-amine;urea?
The InChIKey is QKWYYTOOTMHZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O.CH4N2O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9;2-1(3)4/h1-3,5-6H,4H2,(H2,11,12,13,14,15);(H4,2,3,4).
What are the key properties of N-(furan-2-ylmethyl)-7H-purin-6-amine;urea?
N-(furan-2-ylmethyl)-7H-purin-6-amine;urea has a molecular weight of 275.27 g/mol, XLogP of 0.58, 3 rotatable bonds, 4 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;urea is sourced from PubChem (CID 68661345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).