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

C9H10N4O — CID 71733476

IUPAC3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one
SMILESNCCC(=O)c1cnc2ncccn12
InChIInChI=1S/C9H10N4O/c10-3-2-8(14)7-6-12-9-11-4-1-5-13(7)9/h1,4-6H,2-3,10H2
InChIKeyROWJFMQPLCNHSP-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.26
Rot. Bonds3

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

3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one (PubChem CID 71733476) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one
PubChem CID71733476
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one
SMILESNCCC(=O)c1cnc2ncccn12
InChIInChI=1S/C9H10N4O/c10-3-2-8(14)7-6-12-9-11-4-1-5-13(7)9/h1,4-6H,2-3,10H2
InChIKeyROWJFMQPLCNHSP-UHFFFAOYSA-N
XLogP0.26
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-imidazo[1,2-a]pyrimidin-3-yl-Ethanone
CID 21957409
1-{Imidazo[1,2-a]pyrimidin-2-yl}ethan-1-one
CID 68050501
1-Imidazo[1,2-a]pyrimidin-3-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 177381584
1-(2-Methylimidazo(1,2-a)pyrimidin-3-yl)ethanone
CID 13485361
3-Amino-1-{imidazo[1,2-a]pyrimidin-3-yl}propan-1-one dihydrochloride
CID 71733475
N-[2-(1H-Imidazol-4-YL)ethyl]imidazo[1,2-A]pyrimidine-2-carboxamide
CID 74232244
2-Amino-1-imidazo[1,2-a]pyrimidin-3-ylethanone;dihydrochloride
CID 90664636
Azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone
CID 94146892
7-Trifluoromethylimidazo[1,2-alpha]pyrimidine-3-carboxamide
CID 69560089
1-(6-Fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylpropan-1-one
CID 123829652
1-[2-(1,1-Difluoroethyl)imidazo[1,5-a]pyrimidin-8-yl]ethanone
CID 145225305
N-((1r,4r)-4-aminocyclohexyl)imidazo[1,2-a]pyrimidine-3-carboxamide
CID 132219905

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one?
The IUPAC name of 3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one (CID 71733476) is 3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one.
What is the SMILES notation for 3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one?
The canonical SMILES for 3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one is NCCC(=O)c1cnc2ncccn12.
What is the InChIKey of 3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one?
The InChIKey is ROWJFMQPLCNHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c10-3-2-8(14)7-6-12-9-11-4-1-5-13(7)9/h1,4-6H,2-3,10H2.
What are the key properties of 3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one?
3-amino-1-imidazo[1,2-a]pyrimidin-3-ylpropan-1-one has a molecular weight of 190.21 g/mol, XLogP of 0.26, 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 is sourced from PubChem (CID 71733476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).