methyl 5-oxo-7,8-dihydro-6H-imidazo[1,2-c]pyrimidine-7-carboxylate

C8H9N3O3 — CID 20873542

IUPACmethyl 5-oxo-7,8-dihydro-6H-imidazo[1,2-c]pyrimidine-7-carboxylate
SMILESCOC(=O)C1Cc2nccn2C(=O)N1
InChIInChI=1S/C8H9N3O3/c1-14-7(12)5-4-6-9-2-3-11(6)8(13)10-5/h2-3,5H,4H2,1H3,(H,10,13)
InChIKeyFAKFXGPALYHSKE-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.46
Rot. Bonds1

About methyl 5-oxo-7,8-dihydro-6H-imidazo[1,2-c]pyrimidine-7-carboxylate

methyl 5-oxo-7,8-dihydro-6H-imidazo[1,2-c]pyrimidine-7-carboxylate (PubChem CID 20873542) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is methyl 5-oxo-7,8-dihydro-6H-imidazo[1,2-c]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-7,8-dihydro-6H-imidazo[1,2-c]pyrimidine-7-carboxylate
PubChem CID20873542
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Namemethyl 5-oxo-7,8-dihydro-6H-imidazo[1,2-c]pyrimidine-7-carboxylate
SMILESCOC(=O)C1Cc2nccn2C(=O)N1
InChIInChI=1S/C8H9N3O3/c1-14-7(12)5-4-6-9-2-3-11(6)8(13)10-5/h2-3,5H,4H2,1H3,(H,10,13)
InChIKeyFAKFXGPALYHSKE-UHFFFAOYSA-N
XLogP-0.46
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-7,8-dihydro-6H-imidazo[1,2-c]pyrimidine-7-carboxylate?
The IUPAC name of methyl 5-oxo-7,8-dihydro-6H-imidazo[1,2-c]pyrimidine-7-carboxylate (CID 20873542) is methyl 5-oxo-7,8-dihydro-6H-imidazo[1,2-c]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 5-oxo-7,8-dihydro-6H-imidazo[1,2-c]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 5-oxo-7,8-dihydro-6H-imidazo[1,2-c]pyrimidine-7-carboxylate is COC(=O)C1Cc2nccn2C(=O)N1.
What is the InChIKey of methyl 5-oxo-7,8-dihydro-6H-imidazo[1,2-c]pyrimidine-7-carboxylate?
The InChIKey is FAKFXGPALYHSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-14-7(12)5-4-6-9-2-3-11(6)8(13)10-5/h2-3,5H,4H2,1H3,(H,10,13).
What are the key properties of methyl 5-oxo-7,8-dihydro-6H-imidazo[1,2-c]pyrimidine-7-carboxylate?
methyl 5-oxo-7,8-dihydro-6H-imidazo[1,2-c]pyrimidine-7-carboxylate has a molecular weight of 195.18 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-7,8-dihydro-6H-imidazo[1,2-c]pyrimidine-7-carboxylate is sourced from PubChem (CID 20873542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).