7-amino-1-(2-methylpropyl)-6-nitroso-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one

C10H15N5O2 — CID 13391421

IUPAC7-amino-1-(2-methylpropyl)-6-nitroso-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
SMILESCC(C)CN1CCn2c1nc(N)c(N=O)c2=O
InChIInChI=1S/C10H15N5O2/c1-6(2)5-14-3-4-15-9(16)7(13-17)8(11)12-10(14)15/h6H,3-5,11H2,1-2H3
InChIKeyLXYASJXOEGKUFI-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.70
Rot. Bonds3

About 7-amino-1-(2-methylpropyl)-6-nitroso-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one

7-amino-1-(2-methylpropyl)-6-nitroso-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one (PubChem CID 13391421) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 7-amino-1-(2-methylpropyl)-6-nitroso-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-amino-1-(2-methylpropyl)-6-nitroso-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
PubChem CID13391421
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name7-amino-1-(2-methylpropyl)-6-nitroso-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
SMILESCC(C)CN1CCn2c1nc(N)c(N=O)c2=O
InChIInChI=1S/C10H15N5O2/c1-6(2)5-14-3-4-15-9(16)7(13-17)8(11)12-10(14)15/h6H,3-5,11H2,1-2H3
InChIKeyLXYASJXOEGKUFI-UHFFFAOYSA-N
XLogP0.70
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(2-methylpropyl)-6-nitroso-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-amino-1-(2-methylpropyl)-6-nitroso-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one (CID 13391421) is 7-amino-1-(2-methylpropyl)-6-nitroso-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-amino-1-(2-methylpropyl)-6-nitroso-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-amino-1-(2-methylpropyl)-6-nitroso-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one is CC(C)CN1CCn2c1nc(N)c(N=O)c2=O.
What is the InChIKey of 7-amino-1-(2-methylpropyl)-6-nitroso-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is LXYASJXOEGKUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-6(2)5-14-3-4-15-9(16)7(13-17)8(11)12-10(14)15/h6H,3-5,11H2,1-2H3.
What are the key properties of 7-amino-1-(2-methylpropyl)-6-nitroso-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
7-amino-1-(2-methylpropyl)-6-nitroso-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 237.26 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(2-methylpropyl)-6-nitroso-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 13391421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).