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

C8H11N5O — CID 83830325

IUPACN'-methyl-N'-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCN(CCN)c1ncnc2oncc12
InChIInChI=1S/C8H11N5O/c1-13(3-2-9)7-6-4-12-14-8(6)11-5-10-7/h4-5H,2-3,9H2,1H3
InChIKeyYXXDHUKWYMIHGU-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.01
Rot. Bonds3

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

N'-methyl-N'-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 83830325) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is N'-methyl-N'-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine
PubChem CID83830325
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC NameN'-methyl-N'-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCN(CCN)c1ncnc2oncc12
InChIInChI=1S/C8H11N5O/c1-13(3-2-9)7-6-4-12-14-8(6)11-5-10-7/h4-5H,2-3,9H2,1H3
InChIKeyYXXDHUKWYMIHGU-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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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine (CID 83830325) is N'-methyl-N'-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine is CN(CCN)c1ncnc2oncc12.
What is the InChIKey of N'-methyl-N'-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is YXXDHUKWYMIHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-13(3-2-9)7-6-4-12-14-8(6)11-5-10-7/h4-5H,2-3,9H2,1H3.
What are the key properties of N'-methyl-N'-([1,2]oxazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
N'-methyl-N'-([1,2]oxazolo[5,4-d]pyrimidin-4-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[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 83830325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).