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

C8H9N3O3 — CID 10878052

IUPACmethyl (7S)-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxylate
SMILESCOC(=O)[C@@H]1Cc2cncn2C(=O)N1
InChIInChI=1S/C8H9N3O3/c1-14-7(12)6-2-5-3-9-4-11(5)8(13)10-6/h3-4,6H,2H2,1H3,(H,10,13)/t6-/m0/s1
InChIKeyMSWBJDHMQDISQH-LURJTMIESA-N
MW195.18 g/mol
LogP-0.46
Rot. Bonds1

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

methyl (7S)-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxylate (PubChem CID 10878052) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is methyl (7S)-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl (7S)-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxylate
PubChem CID10878052
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Namemethyl (7S)-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxylate
SMILESCOC(=O)[C@@H]1Cc2cncn2C(=O)N1
InChIInChI=1S/C8H9N3O3/c1-14-7(12)6-2-5-3-9-4-11(5)8(13)10-6/h3-4,6H,2H2,1H3,(H,10,13)/t6-/m0/s1
InChIKeyMSWBJDHMQDISQH-LURJTMIESA-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 (7S)-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxylate?
The IUPAC name of methyl (7S)-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxylate (CID 10878052) is methyl (7S)-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl (7S)-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxylate?
The canonical SMILES for methyl (7S)-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxylate is COC(=O)[C@@H]1Cc2cncn2C(=O)N1.
What is the InChIKey of methyl (7S)-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxylate?
The InChIKey is MSWBJDHMQDISQH-LURJTMIESA-N. The full InChI is InChI=1S/C8H9N3O3/c1-14-7(12)6-2-5-3-9-4-11(5)8(13)10-6/h3-4,6H,2H2,1H3,(H,10,13)/t6-/m0/s1.
What are the key properties of methyl (7S)-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxylate?
methyl (7S)-5-oxo-7,8-dihydro-6H-imidazo[1,5-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 (7S)-5-oxo-7,8-dihydro-6H-imidazo[1,5-c]pyrimidine-7-carboxylate is sourced from PubChem (CID 10878052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).