2-morpholin-4-yl-5-nitrosopyrimidine-4,6-diamine

C8H12N6O2 — CID 90718499

IUPAC2-morpholin-4-yl-5-nitrosopyrimidine-4,6-diamine
SMILESNc1nc(N2CCOCC2)nc(N)c1N=O
InChIInChI=1S/C8H12N6O2/c9-6-5(13-15)7(10)12-8(11-6)14-1-3-16-4-2-14/h1-4H2,(H4,9,10,11,12)
InChIKeyKERXLNLZKNZQBK-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.12
Rot. Bonds2

About 2-morpholin-4-yl-5-nitrosopyrimidine-4,6-diamine

2-morpholin-4-yl-5-nitrosopyrimidine-4,6-diamine (PubChem CID 90718499) has the molecular formula C8H12N6O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-nitrosopyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-morpholin-4-yl-5-nitrosopyrimidine-4,6-diamine
PubChem CID90718499
Molecular FormulaC8H12N6O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name2-morpholin-4-yl-5-nitrosopyrimidine-4,6-diamine
SMILESNc1nc(N2CCOCC2)nc(N)c1N=O
InChIInChI=1S/C8H12N6O2/c9-6-5(13-15)7(10)12-8(11-6)14-1-3-16-4-2-14/h1-4H2,(H4,9,10,11,12)
InChIKeyKERXLNLZKNZQBK-UHFFFAOYSA-N
XLogP-0.12
TPSA119.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-nitrosopyrimidine-4,6-diamine?
The IUPAC name of 2-morpholin-4-yl-5-nitrosopyrimidine-4,6-diamine (CID 90718499) is 2-morpholin-4-yl-5-nitrosopyrimidine-4,6-diamine.
What is the SMILES notation for 2-morpholin-4-yl-5-nitrosopyrimidine-4,6-diamine?
The canonical SMILES for 2-morpholin-4-yl-5-nitrosopyrimidine-4,6-diamine is Nc1nc(N2CCOCC2)nc(N)c1N=O.
What is the InChIKey of 2-morpholin-4-yl-5-nitrosopyrimidine-4,6-diamine?
The InChIKey is KERXLNLZKNZQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2/c9-6-5(13-15)7(10)12-8(11-6)14-1-3-16-4-2-14/h1-4H2,(H4,9,10,11,12).
What are the key properties of 2-morpholin-4-yl-5-nitrosopyrimidine-4,6-diamine?
2-morpholin-4-yl-5-nitrosopyrimidine-4,6-diamine has a molecular weight of 224.22 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-nitrosopyrimidine-4,6-diamine is sourced from PubChem (CID 90718499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).