(NZ)-N-[4-(6-amino-7H-purin-2-yl)butan-2-ylidene]hydroxylamine

C9H12N6O — CID 19762005

IUPAC(NZ)-N-[4-(6-amino-7H-purin-2-yl)butan-2-ylidene]hydroxylamine
SMILESC/C(CCc1nc(N)c2[nH]cnc2n1)=N/O
InChIInChI=1S/C9H12N6O/c1-5(15-16)2-3-6-13-8(10)7-9(14-6)12-4-11-7/h4,16H,2-3H2,1H3,(H3,10,11,12,13,14)/b15-5-
InChIKeyWXSLWKCKRGRSOI-WCSRMQSCSA-N
MW220.24 g/mol
LogP0.72
Rot. Bonds3

About (NZ)-N-[4-(6-amino-7H-purin-2-yl)butan-2-ylidene]hydroxylamine

(NZ)-N-[4-(6-amino-7H-purin-2-yl)butan-2-ylidene]hydroxylamine (PubChem CID 19762005) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is (NZ)-N-[4-(6-amino-7H-purin-2-yl)butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[4-(6-amino-7H-purin-2-yl)butan-2-ylidene]hydroxylamine
PubChem CID19762005
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name(NZ)-N-[4-(6-amino-7H-purin-2-yl)butan-2-ylidene]hydroxylamine
SMILESC/C(CCc1nc(N)c2[nH]cnc2n1)=N/O
InChIInChI=1S/C9H12N6O/c1-5(15-16)2-3-6-13-8(10)7-9(14-6)12-4-11-7/h4,16H,2-3H2,1H3,(H3,10,11,12,13,14)/b15-5-
InChIKeyWXSLWKCKRGRSOI-WCSRMQSCSA-N
XLogP0.72
TPSA113.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-7H-purin-6-amine
CID 19795383
2-octyl-7H-purin-6-amine
CID 139890933
2-[(6-amino-7H-purin-2-yl)methoxy]ethanol
CID 20566205
2-[5-(4-methylpiperazin-1-yl)pentyl]-7H-purin-6-amine
CID 143940334
[2-(6-amino-7H-purin-2-yl)-1-deuterioethoxy]methylphosphonic acid
CID 175895615
2-benzyl-7H-purin-6-amine
CID 15986830
2-(2,2,3,3,3-pentafluoropropyl)-7H-purin-6-amine
CID 87990472
2-[2-(8-oxabicyclo[3.2.1]octan-3-yl)ethyl]-7H-purin-6-amine
CID 140539645
chloromercury;2-methoxy-7H-purin-6-amine
CID 69287233
4-[(6-amino-7H-purin-2-yl)methyl]benzenethiol
CID 139889521
2-[2-[(3S)-piperidin-3-yl]ethyl]-7H-purin-6-amine
CID 143581709
tert-butyl 6-amino-7H-purine-2-carboxylate
CID 135336272

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[4-(6-amino-7H-purin-2-yl)butan-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[4-(6-amino-7H-purin-2-yl)butan-2-ylidene]hydroxylamine (CID 19762005) is (NZ)-N-[4-(6-amino-7H-purin-2-yl)butan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[4-(6-amino-7H-purin-2-yl)butan-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[4-(6-amino-7H-purin-2-yl)butan-2-ylidene]hydroxylamine is C/C(CCc1nc(N)c2[nH]cnc2n1)=N/O.
What is the InChIKey of (NZ)-N-[4-(6-amino-7H-purin-2-yl)butan-2-ylidene]hydroxylamine?
The InChIKey is WXSLWKCKRGRSOI-WCSRMQSCSA-N. The full InChI is InChI=1S/C9H12N6O/c1-5(15-16)2-3-6-13-8(10)7-9(14-6)12-4-11-7/h4,16H,2-3H2,1H3,(H3,10,11,12,13,14)/b15-5-.
What are the key properties of (NZ)-N-[4-(6-amino-7H-purin-2-yl)butan-2-ylidene]hydroxylamine?
(NZ)-N-[4-(6-amino-7H-purin-2-yl)butan-2-ylidene]hydroxylamine has a molecular weight of 220.24 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[4-(6-amino-7H-purin-2-yl)butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 19762005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).