methyl 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylate

C8H7N3O3 — CID 135409708

IUPACmethyl 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylate
SMILESCOC(=O)c1c[nH]c2c(=O)[nH]cnc12
InChIInChI=1S/C8H7N3O3/c1-14-8(13)4-2-9-6-5(4)10-3-11-7(6)12/h2-3,9H,1H3,(H,10,11,12)
InChIKeyCWFVLWYOKBIVPG-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.04
Rot. Bonds1

About methyl 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylate

methyl 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylate (PubChem CID 135409708) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is methyl 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylate
PubChem CID135409708
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Namemethyl 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylate
SMILESCOC(=O)c1c[nH]c2c(=O)[nH]cnc12
InChIInChI=1S/C8H7N3O3/c1-14-8(13)4-2-9-6-5(4)10-3-11-7(6)12/h2-3,9H,1H3,(H,10,11,12)
InChIKeyCWFVLWYOKBIVPG-UHFFFAOYSA-N
XLogP0.04
TPSA87.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl 3-amino-1H-pyrrole-2,4-dicarboxylate
CID 11084808
Ethyl 4-hydroxy-5-isopropylpyrrolo[1,2-F][1,2,4]triazine-6-carboxylate
CID 135410235
Methyl 5-methyl-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 135510278
US10202378, Example 53
CID 122452533
4-Oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid
CID 135408952
ethyl 1-oxo-1H,2H-pyrrolo(1,2-a)pyrazine-7-carboxylate
CID 165753287
2-Cyano-4-ethoxycarbonyl-3-aminopyrrole
CID 76072410
Ethyl 1,4-dihydro-5-methyl-4-oxopyrrolo(2,1-f)(1,2,4)triazine-6-carboxylate
CID 135438448
7-(2-Hydroxyethoxymethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135408236
7-(3-Hydroxypropoxymethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135408954
2-Carbomethoxy-3-ureido-4-methylpyrrole
CID 12421116
diethyl 3-[(2,2,2-trifluoroacetyl)amino]-1H-pyrrole-2,4-dicarboxylate
CID 15365373

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylate?
The IUPAC name of methyl 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylate (CID 135409708) is methyl 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylate is COC(=O)c1c[nH]c2c(=O)[nH]cnc12.
What is the InChIKey of methyl 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylate?
The InChIKey is CWFVLWYOKBIVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-14-8(13)4-2-9-6-5(4)10-3-11-7(6)12/h2-3,9H,1H3,(H,10,11,12).
What are the key properties of methyl 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylate?
methyl 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylate has a molecular weight of 193.16 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylate is sourced from PubChem (CID 135409708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).