methyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]pyrimidine-2-carboxylate

C12H17N3O4 — CID 66287348

IUPACmethyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]pyrimidine-2-carboxylate
SMILESCCOC(=O)CCN(C)c1ccnc(C(=O)OC)n1
InChIInChI=1S/C12H17N3O4/c1-4-19-10(16)6-8-15(2)9-5-7-13-11(14-9)12(17)18-3/h5,7H,4,6,8H2,1-3H3
InChIKeyOCGYBNYZQRPZEF-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.65
Rot. Bonds6

About methyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]pyrimidine-2-carboxylate

methyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]pyrimidine-2-carboxylate (PubChem CID 66287348) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]pyrimidine-2-carboxylate
PubChem CID66287348
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Namemethyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]pyrimidine-2-carboxylate
SMILESCCOC(=O)CCN(C)c1ccnc(C(=O)OC)n1
InChIInChI=1S/C12H17N3O4/c1-4-19-10(16)6-8-15(2)9-5-7-13-11(14-9)12(17)18-3/h5,7H,4,6,8H2,1-3H3
InChIKeyOCGYBNYZQRPZEF-UHFFFAOYSA-N
XLogP0.65
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]pyrimidine-2-carboxylate
CID 66285332
ethyl 3-[(6-ethoxy-2-pyridinyl)-methylamino]propanoate
CID 63588358
methyl 4-[(3-aminophenyl)methyl-methylamino]pyrimidine-2-carboxylate
CID 66286930
ethyl 3-[methyl-(6-methylpyrimidin-4-yl)amino]propanoate
CID 55209509
ethyl 3-[(7-methoxyisoquinolin-1-yl)-methylamino]propanoate
CID 106541958
ethyl 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanoate
CID 62005021
2-[ethyl-(2-methoxycarbonylpyrimidin-4-yl)amino]acetic acid
CID 66287387
methyl 3-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
CID 62011256
methyl 3-[(4-ethoxypyrimidin-2-yl)-methylamino]propanoate
CID 112638969
methyl 4-[(4-methoxy-4-oxobutyl)-methylamino]-6-methylpyrimidine-2-carboxylate
CID 66286542
4-[(2-methoxycarbonylpyrimidin-4-yl)-methylamino]benzoic acid
CID 104698475
methyl 4-[2-aminoethyl(methyl)amino]-6-methylpyrimidine-2-carboxylate
CID 66285906

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]pyrimidine-2-carboxylate (CID 66287348) is methyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]pyrimidine-2-carboxylate is CCOC(=O)CCN(C)c1ccnc(C(=O)OC)n1.
What is the InChIKey of methyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]pyrimidine-2-carboxylate?
The InChIKey is OCGYBNYZQRPZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-4-19-10(16)6-8-15(2)9-5-7-13-11(14-9)12(17)18-3/h5,7H,4,6,8H2,1-3H3.
What are the key properties of methyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]pyrimidine-2-carboxylate?
methyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]pyrimidine-2-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 0.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]pyrimidine-2-carboxylate is sourced from PubChem (CID 66287348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).