methyl 2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetate

C9H13N3O2 — CID 137217184

IUPACmethyl 2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetate
SMILESCOC(=O)Cc1cnc2n1CCCN2
InChIInChI=1S/C9H13N3O2/c1-14-8(13)5-7-6-11-9-10-3-2-4-12(7)9/h6H,2-5H2,1H3,(H,10,11)
InChIKeyXWYSDKTUCWCCBA-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.41
Rot. Bonds2

About methyl 2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetate

methyl 2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetate (PubChem CID 137217184) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetate
PubChem CID137217184
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Namemethyl 2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetate
SMILESCOC(=O)Cc1cnc2n1CCCN2
InChIInChI=1S/C9H13N3O2/c1-14-8(13)5-7-6-11-9-10-3-2-4-12(7)9/h6H,2-5H2,1H3,(H,10,11)
InChIKeyXWYSDKTUCWCCBA-UHFFFAOYSA-N
XLogP0.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-4-imidazoleacetate
CID 21283465
Aminozooanemonin
CID 10080783
ethyl 2-(1H-imidazol-4-yl)acetate
CID 13190584
4-Imidazolacetic acid, butyl ester
CID 557123
ethyl 2-(1H-imidazol-4-yl)acetate hydrochloride
CID 13190585
methyl 2-amino-2-(1-methyl-1H-imidazol-5-yl)acetate dihydrochloride
CID 75525606
2-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-yl}acetic acid hydrochloride
CID 122156770
2-(8-methyl-5H,6H,7H,8H-imidazo(1,2-a)pyridin-3-yl)acetic acid hydrochloride
CID 132371662
methyl 3-{5H,6H,7H,8H-imidazo[1,2-a]pyrimidin-3-yl}propanoate hydrochloride
CID 170910284
2-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-yl}acetic acid hydrobromide
CID 170911040
Methyl (1H-imidazol-5-yl)acetate
CID 13948273
Methyl 2-(2-amino-1H-imidazol-4-yl)acetate
CID 13948275

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetate?
The IUPAC name of methyl 2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetate (CID 137217184) is methyl 2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetate.
What is the SMILES notation for methyl 2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetate?
The canonical SMILES for methyl 2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetate is COC(=O)Cc1cnc2n1CCCN2.
What is the InChIKey of methyl 2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetate?
The InChIKey is XWYSDKTUCWCCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-14-8(13)5-7-6-11-9-10-3-2-4-12(7)9/h6H,2-5H2,1H3,(H,10,11).
What are the key properties of methyl 2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetate?
methyl 2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetate has a molecular weight of 195.22 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetate is sourced from PubChem (CID 137217184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).