methyl 4-[(4-methoxy-4-oxobutyl)-methylamino]-6-methylpyrimidine-2-carboxylate

C13H19N3O4 — CID 66286542

IUPACmethyl 4-[(4-methoxy-4-oxobutyl)-methylamino]-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)CCCN(C)c1cc(C)nc(C(=O)OC)n1
InChIInChI=1S/C13H19N3O4/c1-9-8-10(15-12(14-9)13(18)20-4)16(2)7-5-6-11(17)19-3/h8H,5-7H2,1-4H3
InChIKeyJELGYMLXIKGKGI-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.96
Rot. Bonds6

About methyl 4-[(4-methoxy-4-oxobutyl)-methylamino]-6-methylpyrimidine-2-carboxylate

methyl 4-[(4-methoxy-4-oxobutyl)-methylamino]-6-methylpyrimidine-2-carboxylate (PubChem CID 66286542) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 4-[(4-methoxy-4-oxobutyl)-methylamino]-6-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-methoxy-4-oxobutyl)-methylamino]-6-methylpyrimidine-2-carboxylate
PubChem CID66286542
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Namemethyl 4-[(4-methoxy-4-oxobutyl)-methylamino]-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)CCCN(C)c1cc(C)nc(C(=O)OC)n1
InChIInChI=1S/C13H19N3O4/c1-9-8-10(15-12(14-9)13(18)20-4)16(2)7-5-6-11(17)19-3/h8H,5-7H2,1-4H3
InChIKeyJELGYMLXIKGKGI-UHFFFAOYSA-N
XLogP0.96
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[3-aminopropyl(methyl)amino]-6-methylpyrimidine-2-carboxylate
CID 113285814
methyl 4-[2-aminoethyl(methyl)amino]-6-methylpyrimidine-2-carboxylate
CID 66285906
2-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-methylamino]acetic acid
CID 66288193
methyl 4-methyl-6-[methyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-2-carboxylate
CID 106618710
methyl 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoate
CID 115973708
methyl 4-[2-cyanoethyl(ethyl)amino]-6-methylpyrimidine-2-carboxylate
CID 66285395
methyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate
CID 112635237
methyl 4-[methyl(pyrimidin-2-yl)amino]butanoate
CID 62006126
methyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]pyrimidine-2-carboxylate
CID 66287348
methyl 4-[(5-tert-butyl-2-pyridinyl)-methylamino]butanoate
CID 107875425
methyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-methylamino]butanoate
CID 39491200
methyl 4-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]butanoate
CID 81136505

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methoxy-4-oxobutyl)-methylamino]-6-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[(4-methoxy-4-oxobutyl)-methylamino]-6-methylpyrimidine-2-carboxylate (CID 66286542) is methyl 4-[(4-methoxy-4-oxobutyl)-methylamino]-6-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[(4-methoxy-4-oxobutyl)-methylamino]-6-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[(4-methoxy-4-oxobutyl)-methylamino]-6-methylpyrimidine-2-carboxylate is COC(=O)CCCN(C)c1cc(C)nc(C(=O)OC)n1.
What is the InChIKey of methyl 4-[(4-methoxy-4-oxobutyl)-methylamino]-6-methylpyrimidine-2-carboxylate?
The InChIKey is JELGYMLXIKGKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-9-8-10(15-12(14-9)13(18)20-4)16(2)7-5-6-11(17)19-3/h8H,5-7H2,1-4H3.
What are the key properties of methyl 4-[(4-methoxy-4-oxobutyl)-methylamino]-6-methylpyrimidine-2-carboxylate?
methyl 4-[(4-methoxy-4-oxobutyl)-methylamino]-6-methylpyrimidine-2-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 0.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methoxy-4-oxobutyl)-methylamino]-6-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 66286542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).