methyl 3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate

C10H9N3O3 — CID 44783245

IUPACmethyl 3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1ccc2ncc(N)c(=O)n2c1
InChIInChI=1S/C10H9N3O3/c1-16-10(15)6-2-3-8-12-4-7(11)9(14)13(8)5-6/h2-5H,11H2,1H3
InChIKeyZGJVQUUYJFZHQQ-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.06
Rot. Bonds1

About methyl 3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate

methyl 3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate (PubChem CID 44783245) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is methyl 3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
PubChem CID44783245
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Namemethyl 3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1ccc2ncc(N)c(=O)n2c1
InChIInChI=1S/C10H9N3O3/c1-16-10(15)6-2-3-8-12-4-7(11)9(14)13(8)5-6/h2-5H,11H2,1H3
InChIKeyZGJVQUUYJFZHQQ-UHFFFAOYSA-N
XLogP0.06
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)amino]acetate
CID 44782870
methyl 3-[2-(dimethylamino)-2-oxoacetyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 12988951
3-amino-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
CID 44783018
3-amino-7-bromopyrido[1,2-a]pyrimidin-4-one
CID 83898748
ethyl 1-(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)piperidine-4-carboxylate
CID 44783014
methyl 4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-12-carboxylate
CID 12862360
methyl 3-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117256294
methyl 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 84614376
3-[(4-methoxybenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 44783251
methyl 7,9-dichloro-8-hydroxy-6-oxoquinolizine-3-carboxylate
CID 54729564
methyl 3-acetyl-2-methylimidazo[1,2-a]pyridine-6-carboxylate
CID 59176908
methyl 6-[(3-amino-4-oxo-1-pyridinyl)methyl]pyridine-3-carboxylate
CID 82994152

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate?
The IUPAC name of methyl 3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate (CID 44783245) is methyl 3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate is COC(=O)c1ccc2ncc(N)c(=O)n2c1.
What is the InChIKey of methyl 3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate?
The InChIKey is ZGJVQUUYJFZHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-16-10(15)6-2-3-8-12-4-7(11)9(14)13(8)5-6/h2-5H,11H2,1H3.
What are the key properties of methyl 3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate?
methyl 3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate has a molecular weight of 219.20 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 44783245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).