(6-aminopurin-9-yl)urea

C6H7N7O — CID 57269838

IUPAC(6-aminopurin-9-yl)urea
SMILESNC(=O)Nn1cnc2c(N)ncnc21
InChIInChI=1S/C6H7N7O/c7-4-3-5(10-1-9-4)13(2-11-3)12-6(8)14/h1-2H,(H2,7,9,10)(H3,8,12,14)
InChIKeyVMXWZNVXISCUHL-UHFFFAOYSA-N
MW193.17 g/mol
LogP-0.97
Rot. Bonds1

About (6-aminopurin-9-yl)urea

(6-aminopurin-9-yl)urea (PubChem CID 57269838) has the molecular formula C6H7N7O and a molecular weight of 193.17 g/mol. Its IUPAC name is (6-aminopurin-9-yl)urea.

Molecular Properties

Compound Name(6-aminopurin-9-yl)urea
PubChem CID57269838
Molecular FormulaC6H7N7O
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name(6-aminopurin-9-yl)urea
SMILESNC(=O)Nn1cnc2c(N)ncnc21
InChIInChI=1S/C6H7N7O/c7-4-3-5(10-1-9-4)13(2-11-3)12-6(8)14/h1-2H,(H2,7,9,10)(H3,8,12,14)
InChIKeyVMXWZNVXISCUHL-UHFFFAOYSA-N
XLogP-0.97
TPSA124.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-aminopurin-9-yl)pyridine-3-carboxamide
CID 57322773
1-(6-aminopurin-9-yl)ethanone
CID 56662952
(2R)-2-amino-2-(6-aminopurin-9-yl)acetic acid
CID 40601282
(6-aminopurin-9-yl) acetate
CID 57119110
9-phosphorosopurin-6-amine
CID 57110561
1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
(6-aminopurin-9-yl) formate
CID 57250144
ethyl 4-(6-aminopurin-9-yl)-3-oxobutanoate
CID 63899088
1-(6-aminopurin-9-yl)-3,3-dimethylbutan-2-one
CID 62023866
[2-[(6-aminopurin-9-yl)methoxy]-3-methoxycarbonyloxypropyl] methyl carbonate
CID 70449513
9-[4,6-bis(6-aminopurin-9-yl)-1,3,5-triazin-2-yl]purin-6-amine
CID 102192385
6-amino-N-(4-chlorophenyl)purine-9-carboxamide
CID 134094128

Frequently Asked Questions

What is the IUPAC name of (6-aminopurin-9-yl)urea?
The IUPAC name of (6-aminopurin-9-yl)urea (CID 57269838) is (6-aminopurin-9-yl)urea.
What is the SMILES notation for (6-aminopurin-9-yl)urea?
The canonical SMILES for (6-aminopurin-9-yl)urea is NC(=O)Nn1cnc2c(N)ncnc21.
What is the InChIKey of (6-aminopurin-9-yl)urea?
The InChIKey is VMXWZNVXISCUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N7O/c7-4-3-5(10-1-9-4)13(2-11-3)12-6(8)14/h1-2H,(H2,7,9,10)(H3,8,12,14).
What are the key properties of (6-aminopurin-9-yl)urea?
(6-aminopurin-9-yl)urea has a molecular weight of 193.17 g/mol, XLogP of -0.97, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-aminopurin-9-yl)urea is sourced from PubChem (CID 57269838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).