methyl 3-[methyl-(4-propan-2-yloxypyrimidin-2-yl)amino]propanoate

C12H19N3O3 — CID 112638970

IUPACmethyl 3-[methyl-(4-propan-2-yloxypyrimidin-2-yl)amino]propanoate
SMILESCOC(=O)CCN(C)c1nccc(OC(C)C)n1
InChIInChI=1S/C12H19N3O3/c1-9(2)18-10-5-7-13-12(14-10)15(3)8-6-11(16)17-4/h5,7,9H,6,8H2,1-4H3
InChIKeyNDJFQHWOBUNSNC-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.26
Rot. Bonds6

About methyl 3-[methyl-(4-propan-2-yloxypyrimidin-2-yl)amino]propanoate

methyl 3-[methyl-(4-propan-2-yloxypyrimidin-2-yl)amino]propanoate (PubChem CID 112638970) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 3-[methyl-(4-propan-2-yloxypyrimidin-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-(4-propan-2-yloxypyrimidin-2-yl)amino]propanoate
PubChem CID112638970
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 3-[methyl-(4-propan-2-yloxypyrimidin-2-yl)amino]propanoate
SMILESCOC(=O)CCN(C)c1nccc(OC(C)C)n1
InChIInChI=1S/C12H19N3O3/c1-9(2)18-10-5-7-13-12(14-10)15(3)8-6-11(16)17-4/h5,7,9H,6,8H2,1-4H3
InChIKeyNDJFQHWOBUNSNC-UHFFFAOYSA-N
XLogP1.26
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-(4-propan-2-yloxypyrimidin-2-yl)amino]propanoate?
The IUPAC name of methyl 3-[methyl-(4-propan-2-yloxypyrimidin-2-yl)amino]propanoate (CID 112638970) is methyl 3-[methyl-(4-propan-2-yloxypyrimidin-2-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-(4-propan-2-yloxypyrimidin-2-yl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl-(4-propan-2-yloxypyrimidin-2-yl)amino]propanoate is COC(=O)CCN(C)c1nccc(OC(C)C)n1.
What is the InChIKey of methyl 3-[methyl-(4-propan-2-yloxypyrimidin-2-yl)amino]propanoate?
The InChIKey is NDJFQHWOBUNSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9(2)18-10-5-7-13-12(14-10)15(3)8-6-11(16)17-4/h5,7,9H,6,8H2,1-4H3.
What are the key properties of methyl 3-[methyl-(4-propan-2-yloxypyrimidin-2-yl)amino]propanoate?
methyl 3-[methyl-(4-propan-2-yloxypyrimidin-2-yl)amino]propanoate has a molecular weight of 253.30 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-(4-propan-2-yloxypyrimidin-2-yl)amino]propanoate is sourced from PubChem (CID 112638970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).