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

C12H17N3O4 — CID 54709845

IUPACmethyl 9-(dimethylamino)-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2n(c(=O)c1O)CCCC2N(C)C
InChIInChI=1S/C12H17N3O4/c1-14(2)7-5-4-6-15-10(7)13-8(12(18)19-3)9(16)11(15)17/h7,16H,4-6H2,1-3H3
InChIKeyHXHATKDNHRNATG-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.13
Rot. Bonds2

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

methyl 9-(dimethylamino)-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 54709845) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 9-(dimethylamino)-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 9-(dimethylamino)-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID54709845
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Namemethyl 9-(dimethylamino)-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2n(c(=O)c1O)CCCC2N(C)C
InChIInChI=1S/C12H17N3O4/c1-14(2)7-5-4-6-15-10(7)13-8(12(18)19-3)9(16)11(15)17/h7,16H,4-6H2,1-3H3
InChIKeyHXHATKDNHRNATG-UHFFFAOYSA-N
XLogP0.13
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 9-(dimethylamino)-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 9-(dimethylamino)-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate (CID 54709845) is methyl 9-(dimethylamino)-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 9-(dimethylamino)-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 9-(dimethylamino)-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate is COC(=O)c1nc2n(c(=O)c1O)CCCC2N(C)C.
What is the InChIKey of methyl 9-(dimethylamino)-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is HXHATKDNHRNATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-14(2)7-5-4-6-15-10(7)13-8(12(18)19-3)9(16)11(15)17/h7,16H,4-6H2,1-3H3.
What are the key properties of methyl 9-(dimethylamino)-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate?
methyl 9-(dimethylamino)-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(dimethylamino)-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 54709845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).