N'-methyl-N'-([1,2]oxazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine

C8H11N5O — CID 83830323

IUPACN'-methyl-N'-([1,2]oxazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine
SMILESCN(CCN)c1ncc2oncc2n1
InChIInChI=1S/C8H11N5O/c1-13(3-2-9)8-10-5-7-6(12-8)4-11-14-7/h4-5H,2-3,9H2,1H3
InChIKeyHCZIYDARCYVAPU-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.01
Rot. Bonds3

About N'-methyl-N'-([1,2]oxazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine

N'-methyl-N'-([1,2]oxazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine (PubChem CID 83830323) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is N'-methyl-N'-([1,2]oxazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-([1,2]oxazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine
PubChem CID83830323
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC NameN'-methyl-N'-([1,2]oxazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine
SMILESCN(CCN)c1ncc2oncc2n1
InChIInChI=1S/C8H11N5O/c1-13(3-2-9)8-10-5-7-6(12-8)4-11-14-7/h4-5H,2-3,9H2,1H3
InChIKeyHCZIYDARCYVAPU-UHFFFAOYSA-N
XLogP0.01
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(4-ethyl-5-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 103279506
N'-(3,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-yl)-N'-methylethane-1,2-diamine
CID 103279452
N'-methyl-N'-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 83830325
N'-(4-tert-butylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 103279487
N'-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N'-methylethane-1,2-diamine
CID 103279381
N'-[5-(4-ethylphenyl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine
CID 116977265
N'-methyl-N'-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine
CID 103279513
N'-methyl-N'-(5-pyridin-2-ylpyrimidin-2-yl)ethane-1,2-diamine
CID 116977295
N'-[4-(5-ethylthiophen-2-yl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine
CID 103279448
N-(2-chloroethyl)-N-methylquinazolin-2-amine
CID 114789805
N'-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 115355307
N'-methyl-N'-(7-methyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine
CID 83839204

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-([1,2]oxazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-([1,2]oxazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine (CID 83830323) is N'-methyl-N'-([1,2]oxazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-([1,2]oxazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-([1,2]oxazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine is CN(CCN)c1ncc2oncc2n1.
What is the InChIKey of N'-methyl-N'-([1,2]oxazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine?
The InChIKey is HCZIYDARCYVAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-13(3-2-9)8-10-5-7-6(12-8)4-11-14-7/h4-5H,2-3,9H2,1H3.
What are the key properties of N'-methyl-N'-([1,2]oxazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine?
N'-methyl-N'-([1,2]oxazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine has a molecular weight of 193.21 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-([1,2]oxazolo[4,5-d]pyrimidin-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 83830323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).