methyl 3-methyl-9-(methylamino)-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate

C12H17N3O3 — CID 59771068

IUPACmethyl 3-methyl-9-(methylamino)-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCNC1CCCn2c1nc(C(=O)OC)c(C)c2=O
InChIInChI=1S/C12H17N3O3/c1-7-9(12(17)18-3)14-10-8(13-2)5-4-6-15(10)11(7)16/h8,13H,4-6H2,1-3H3
InChIKeyNFOOFPWPMFNVSN-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.39
Rot. Bonds2

About methyl 3-methyl-9-(methylamino)-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate

methyl 3-methyl-9-(methylamino)-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 59771068) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 3-methyl-9-(methylamino)-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-9-(methylamino)-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID59771068
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 3-methyl-9-(methylamino)-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCNC1CCCn2c1nc(C(=O)OC)c(C)c2=O
InChIInChI=1S/C12H17N3O3/c1-7-9(12(17)18-3)14-10-8(13-2)5-4-6-15(10)11(7)16/h8,13H,4-6H2,1-3H3
InChIKeyNFOOFPWPMFNVSN-UHFFFAOYSA-N
XLogP0.39
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-9-(methylamino)-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 3-methyl-9-(methylamino)-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate (CID 59771068) is methyl 3-methyl-9-(methylamino)-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 3-methyl-9-(methylamino)-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 3-methyl-9-(methylamino)-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate is CNC1CCCn2c1nc(C(=O)OC)c(C)c2=O.
What is the InChIKey of methyl 3-methyl-9-(methylamino)-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is NFOOFPWPMFNVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-9(12(17)18-3)14-10-8(13-2)5-4-6-15(10)11(7)16/h8,13H,4-6H2,1-3H3.
What are the key properties of methyl 3-methyl-9-(methylamino)-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
methyl 3-methyl-9-(methylamino)-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-9-(methylamino)-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 59771068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).