3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one;dihydrochloride

C9H12Cl2N4O — CID 71733475

IUPAC3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one;dihydrochloride
SMILESCl.Cl.NCCC(=O)c1cnc2ncccn12
InChIInChI=1S/C9H10N4O.2ClH/c10-3-2-8(14)7-6-12-9-11-4-1-5-13(7)9;;/h1,4-6H,2-3,10H2;2*1H
InChIKeyKWXMORFXALFXQB-UHFFFAOYSA-N
MW263.13 g/mol
LogP1.10
Rot. Bonds3

About 3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one;dihydrochloride

3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one;dihydrochloride (PubChem CID 71733475) has the molecular formula C9H12Cl2N4O and a molecular weight of 263.13 g/mol. Its IUPAC name is 3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one;dihydrochloride
PubChem CID71733475
Molecular FormulaC9H12Cl2N4O
Molecular Weight263.13 g/mol
Exact Mass262.04
IUPAC Name3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one;dihydrochloride
SMILESCl.Cl.NCCC(=O)c1cnc2ncccn12
InChIInChI=1S/C9H10N4O.2ClH/c10-3-2-8(14)7-6-12-9-11-4-1-5-13(7)9;;/h1,4-6H,2-3,10H2;2*1H
InChIKeyKWXMORFXALFXQB-UHFFFAOYSA-N
XLogP1.10
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one;dihydrochloride?
The IUPAC name of 3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one;dihydrochloride (CID 71733475) is 3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one;dihydrochloride.
What is the SMILES notation for 3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one;dihydrochloride?
The canonical SMILES for 3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one;dihydrochloride is Cl.Cl.NCCC(=O)c1cnc2ncccn12.
What is the InChIKey of 3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one;dihydrochloride?
The InChIKey is KWXMORFXALFXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O.2ClH/c10-3-2-8(14)7-6-12-9-11-4-1-5-13(7)9;;/h1,4-6H,2-3,10H2;2*1H.
What are the key properties of 3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one;dihydrochloride?
3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one;dihydrochloride has a molecular weight of 263.13 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one;dihydrochloride is sourced from PubChem (CID 71733475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).