methyl 9-[[2-(dimethylamino)-2-oxoacetyl]amino]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate

C18H21N5O7 — CID 66668475

IUPACmethyl 9-[[2-(dimethylamino)-2-oxoacetyl]amino]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2c(NC(=O)C(=O)N(C)C)cc(N3CCOCC3)cn2c(=O)c1O
InChIInChI=1S/C18H21N5O7/c1-21(2)17(27)15(25)19-11-8-10(22-4-6-30-7-5-22)9-23-14(11)20-12(18(28)29-3)13(24)16(23)26/h8-9,24H,4-7H2,1-3H3,(H,19,25)
InChIKeyWRJBVDHDZQKFPX-UHFFFAOYSA-N
MW419.39 g/mol
LogP-0.95
Rot. Bonds3

About methyl 9-[[2-(dimethylamino)-2-oxoacetyl]amino]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate

methyl 9-[[2-(dimethylamino)-2-oxoacetyl]amino]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 66668475) has the molecular formula C18H21N5O7 and a molecular weight of 419.39 g/mol. Its IUPAC name is methyl 9-[[2-(dimethylamino)-2-oxoacetyl]amino]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 9-[[2-(dimethylamino)-2-oxoacetyl]amino]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID66668475
Molecular FormulaC18H21N5O7
Molecular Weight419.39 g/mol
Exact Mass419.14
IUPAC Namemethyl 9-[[2-(dimethylamino)-2-oxoacetyl]amino]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2c(NC(=O)C(=O)N(C)C)cc(N3CCOCC3)cn2c(=O)c1O
InChIInChI=1S/C18H21N5O7/c1-21(2)17(27)15(25)19-11-8-10(22-4-6-30-7-5-22)9-23-14(11)20-12(18(28)29-3)13(24)16(23)26/h8-9,24H,4-7H2,1-3H3,(H,19,25)
InChIKeyWRJBVDHDZQKFPX-UHFFFAOYSA-N
XLogP-0.95
TPSA142.78 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.39
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze methyl 9-[[2-(dimethylamino)-2-oxoacetyl]amino]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

3-hydroxy-2-[hydroxy(methoxy)methyl]-7,9-dimorpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 123615856
9-chloro-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 54729447
methyl 7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate
CID 58148020
methyl 9-(benzhydrylideneamino)-3-butoxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 88561567
methyl 7-morpholin-4-yl-4-oxo-9-(2-oxopiperazin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate
CID 66669151
methyl 3-chloro-6-morpholin-4-ylpyridine-2-carboxylate
CID 134159276
3-hydroxy-9-(methylamino)-2-[5-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 136630995
N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 54732406
2-[3-(3,4-dichlorophenyl)propanoyl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 58101074
3-hydroxy-9-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 91382106
2-[[2-(9-bromo-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-5-fluoro-N,N-dimethylbenzamide
CID 135911605
methyl 7-chloro-3-hydroxy-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 58101028

Frequently Asked Questions

What is the IUPAC name of methyl 9-[[2-(dimethylamino)-2-oxoacetyl]amino]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 9-[[2-(dimethylamino)-2-oxoacetyl]amino]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (CID 66668475) is methyl 9-[[2-(dimethylamino)-2-oxoacetyl]amino]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 9-[[2-(dimethylamino)-2-oxoacetyl]amino]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 9-[[2-(dimethylamino)-2-oxoacetyl]amino]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is COC(=O)c1nc2c(NC(=O)C(=O)N(C)C)cc(N3CCOCC3)cn2c(=O)c1O.
What is the InChIKey of methyl 9-[[2-(dimethylamino)-2-oxoacetyl]amino]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is WRJBVDHDZQKFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O7/c1-21(2)17(27)15(25)19-11-8-10(22-4-6-30-7-5-22)9-23-14(11)20-12(18(28)29-3)13(24)16(23)26/h8-9,24H,4-7H2,1-3H3,(H,19,25).
What are the key properties of methyl 9-[[2-(dimethylamino)-2-oxoacetyl]amino]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
methyl 9-[[2-(dimethylamino)-2-oxoacetyl]amino]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 419.39 g/mol, XLogP of -0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-[[2-(dimethylamino)-2-oxoacetyl]amino]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 66668475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).