methyl 2-[[2-[(2-methoxy-2-oxoacetyl)amino]-6-piperidin-1-ylpyrimidin-4-yl]amino]-2-oxoacetate

C15H19N5O6 — CID 14097512

IUPACmethyl 2-[[2-[(2-methoxy-2-oxoacetyl)amino]-6-piperidin-1-ylpyrimidin-4-yl]amino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1cc(N2CCCCC2)nc(NC(=O)C(=O)OC)n1
InChIInChI=1S/C15H19N5O6/c1-25-13(23)11(21)16-9-8-10(20-6-4-3-5-7-20)18-15(17-9)19-12(22)14(24)26-2/h8H,3-7H2,1-2H3,(H2,16,17,18,19,21,22)
InChIKeyRJXBFZRLIPHWLW-UHFFFAOYSA-N
MW365.35 g/mol
LogP-0.31
Rot. Bonds3

About methyl 2-[[2-[(2-methoxy-2-oxoacetyl)amino]-6-piperidin-1-ylpyrimidin-4-yl]amino]-2-oxoacetate

methyl 2-[[2-[(2-methoxy-2-oxoacetyl)amino]-6-piperidin-1-ylpyrimidin-4-yl]amino]-2-oxoacetate (PubChem CID 14097512) has the molecular formula C15H19N5O6 and a molecular weight of 365.35 g/mol. Its IUPAC name is methyl 2-[[2-[(2-methoxy-2-oxoacetyl)amino]-6-piperidin-1-ylpyrimidin-4-yl]amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[[2-[(2-methoxy-2-oxoacetyl)amino]-6-piperidin-1-ylpyrimidin-4-yl]amino]-2-oxoacetate
PubChem CID14097512
Molecular FormulaC15H19N5O6
Molecular Weight365.35 g/mol
Exact Mass365.13
IUPAC Namemethyl 2-[[2-[(2-methoxy-2-oxoacetyl)amino]-6-piperidin-1-ylpyrimidin-4-yl]amino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1cc(N2CCCCC2)nc(NC(=O)C(=O)OC)n1
InChIInChI=1S/C15H19N5O6/c1-25-13(23)11(21)16-9-8-10(20-6-4-3-5-7-20)18-15(17-9)19-12(22)14(24)26-2/h8H,3-7H2,1-2H3,(H2,16,17,18,19,21,22)
InChIKeyRJXBFZRLIPHWLW-UHFFFAOYSA-N
XLogP-0.31
TPSA139.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze methyl 2-[[2-[(2-methoxy-2-oxoacetyl)amino]-6-piperidin-1-ylpyrimidin-4-yl]amino]-2-oxoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl 2-[[6-morpholin-4-yl-2-[(2-oxo-2-propan-2-yloxyacetyl)amino]pyrimidin-4-yl]amino]-2-oxoacetate
CID 14097514
4-ethenyl-N-[2-[(4-ethenylbenzoyl)amino]-6-piperidin-1-ylpyrimidin-4-yl]benzamide
CID 11190242
methyl N-[4-(3,6-dihydro-2H-pyridin-1-yl)-6-(methoxycarbonylamino)pyrimidin-2-yl]carbamate
CID 12824310
methyl 2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]-2-oxoacetate
CID 141147647
1-(4-methoxy-6-piperidin-1-ylpyrimidin-2-yl)-3-propan-2-ylthiourea
CID 100775059
1-[4,6-bis(azepan-1-yl)pyrimidin-2-yl]-3-(2-methoxyethyl)thiourea
CID 100776970
methyl 2-oxo-2-(4-pyrrolidin-1-ylanilino)acetate
CID 112617224
6-piperidin-1-yl-2-N,4-N-dipropylpyrimidine-2,4-diamine
CID 70171641
dimethyl (E)-2-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]anilino]but-2-enedioate
CID 168567390
N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 50748367
1-(4-methoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544748
1-[4-(azepan-1-yl)-6-methoxypyrimidin-2-yl]-3-cycloheptylthiourea
CID 100791165

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(2-methoxy-2-oxoacetyl)amino]-6-piperidin-1-ylpyrimidin-4-yl]amino]-2-oxoacetate?
The IUPAC name of methyl 2-[[2-[(2-methoxy-2-oxoacetyl)amino]-6-piperidin-1-ylpyrimidin-4-yl]amino]-2-oxoacetate (CID 14097512) is methyl 2-[[2-[(2-methoxy-2-oxoacetyl)amino]-6-piperidin-1-ylpyrimidin-4-yl]amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[[2-[(2-methoxy-2-oxoacetyl)amino]-6-piperidin-1-ylpyrimidin-4-yl]amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[[2-[(2-methoxy-2-oxoacetyl)amino]-6-piperidin-1-ylpyrimidin-4-yl]amino]-2-oxoacetate is COC(=O)C(=O)Nc1cc(N2CCCCC2)nc(NC(=O)C(=O)OC)n1.
What is the InChIKey of methyl 2-[[2-[(2-methoxy-2-oxoacetyl)amino]-6-piperidin-1-ylpyrimidin-4-yl]amino]-2-oxoacetate?
The InChIKey is RJXBFZRLIPHWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O6/c1-25-13(23)11(21)16-9-8-10(20-6-4-3-5-7-20)18-15(17-9)19-12(22)14(24)26-2/h8H,3-7H2,1-2H3,(H2,16,17,18,19,21,22).
What are the key properties of methyl 2-[[2-[(2-methoxy-2-oxoacetyl)amino]-6-piperidin-1-ylpyrimidin-4-yl]amino]-2-oxoacetate?
methyl 2-[[2-[(2-methoxy-2-oxoacetyl)amino]-6-piperidin-1-ylpyrimidin-4-yl]amino]-2-oxoacetate has a molecular weight of 365.35 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(2-methoxy-2-oxoacetyl)amino]-6-piperidin-1-ylpyrimidin-4-yl]amino]-2-oxoacetate is sourced from PubChem (CID 14097512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).