ethyl 2-[(6-methoxypyrimidin-4-yl)-propan-2-ylamino]acetate

C12H19N3O3 — CID 66318305

IUPACethyl 2-[(6-methoxypyrimidin-4-yl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(c1cc(OC)ncn1)C(C)C
InChIInChI=1S/C12H19N3O3/c1-5-18-12(16)7-15(9(2)3)10-6-11(17-4)14-8-13-10/h6,8-9H,5,7H2,1-4H3
InChIKeyJMOABHKFKYQDTA-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.26
Rot. Bonds6

About ethyl 2-[(6-methoxypyrimidin-4-yl)-propan-2-ylamino]acetate

ethyl 2-[(6-methoxypyrimidin-4-yl)-propan-2-ylamino]acetate (PubChem CID 66318305) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 2-[(6-methoxypyrimidin-4-yl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-methoxypyrimidin-4-yl)-propan-2-ylamino]acetate
PubChem CID66318305
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nameethyl 2-[(6-methoxypyrimidin-4-yl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(c1cc(OC)ncn1)C(C)C
InChIInChI=1S/C12H19N3O3/c1-5-18-12(16)7-15(9(2)3)10-6-11(17-4)14-8-13-10/h6,8-9H,5,7H2,1-4H3
InChIKeyJMOABHKFKYQDTA-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 ethyl 2-[(6-methoxypyrimidin-4-yl)-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(6-methoxypyrimidin-4-yl)-propan-2-ylamino]acetate (CID 66318305) is ethyl 2-[(6-methoxypyrimidin-4-yl)-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(6-methoxypyrimidin-4-yl)-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(6-methoxypyrimidin-4-yl)-propan-2-ylamino]acetate is CCOC(=O)CN(c1cc(OC)ncn1)C(C)C.
What is the InChIKey of ethyl 2-[(6-methoxypyrimidin-4-yl)-propan-2-ylamino]acetate?
The InChIKey is JMOABHKFKYQDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-5-18-12(16)7-15(9(2)3)10-6-11(17-4)14-8-13-10/h6,8-9H,5,7H2,1-4H3.
What are the key properties of ethyl 2-[(6-methoxypyrimidin-4-yl)-propan-2-ylamino]acetate?
ethyl 2-[(6-methoxypyrimidin-4-yl)-propan-2-ylamino]acetate 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 ethyl 2-[(6-methoxypyrimidin-4-yl)-propan-2-ylamino]acetate is sourced from PubChem (CID 66318305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).