ethyl 2-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]acetate

C12H17N3O3 — CID 66318533

IUPACethyl 2-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CN(c1cc(OC)ncn1)C1CC1
InChIInChI=1S/C12H17N3O3/c1-3-18-12(16)7-15(9-4-5-9)10-6-11(17-2)14-8-13-10/h6,8-9H,3-5,7H2,1-2H3
InChIKeySACJLYKQOVIVHT-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.02
Rot. Bonds6

About ethyl 2-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]acetate

ethyl 2-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]acetate (PubChem CID 66318533) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]acetate
PubChem CID66318533
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Nameethyl 2-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CN(c1cc(OC)ncn1)C1CC1
InChIInChI=1S/C12H17N3O3/c1-3-18-12(16)7-15(9-4-5-9)10-6-11(17-2)14-8-13-10/h6,8-9H,3-5,7H2,1-2H3
InChIKeySACJLYKQOVIVHT-UHFFFAOYSA-N
XLogP1.02
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]acetate (CID 66318533) is ethyl 2-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]acetate is CCOC(=O)CN(c1cc(OC)ncn1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]acetate?
The InChIKey is SACJLYKQOVIVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-18-12(16)7-15(9-4-5-9)10-6-11(17-2)14-8-13-10/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of ethyl 2-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]acetate?
ethyl 2-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]acetate has a molecular weight of 251.29 g/mol, XLogP of 1.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 66318533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).