methyl 2-[(6-ethylpyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate

C12H17N3O4 — CID 62955735

IUPACmethyl 2-[(6-ethylpyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCCc1cc(N(CC(=O)OC)CC(=O)OC)ncn1
InChIInChI=1S/C12H17N3O4/c1-4-9-5-10(14-8-13-9)15(6-11(16)18-2)7-12(17)19-3/h5,8H,4,6-7H2,1-3H3
InChIKeyVEYOLZFUIDXJGN-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.19
Rot. Bonds6

About methyl 2-[(6-ethylpyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(6-ethylpyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 62955735) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 2-[(6-ethylpyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-ethylpyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID62955735
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Namemethyl 2-[(6-ethylpyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCCc1cc(N(CC(=O)OC)CC(=O)OC)ncn1
InChIInChI=1S/C12H17N3O4/c1-4-9-5-10(14-8-13-9)15(6-11(16)18-2)7-12(17)19-3/h5,8H,4,6-7H2,1-3H3
InChIKeyVEYOLZFUIDXJGN-UHFFFAOYSA-N
XLogP0.19
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 ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[(6-methoxypyrimidin-4-yl)-propylamino]acetate
CID 66318758
ethyl 3-[(6-ethylpyrimidin-4-yl)-methylamino]propanoate
CID 62005021
2-[(6-ethylpyrimidin-4-yl)-propan-2-ylamino]acetic acid
CID 61235699
3-[cyclopropyl-(6-ethylpyrimidin-4-yl)amino]propanoic acid
CID 61236046
methyl 2-[ethyl-(4-methyl-2-pyridinyl)amino]acetate
CID 62005209
2-[2-methoxyethyl-(6-propylpyrimidin-4-yl)amino]acetic acid
CID 54968848
methyl 2-[(4-carbamothioyl-2-pyridinyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62956262
methyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate
CID 103081962
methyl 2-[(2-methoxy-2-oxoethyl)-(6-methoxy-2-pyridinyl)amino]acetate
CID 63588742
4,6-diethylpyrimidine;N-methylmethanamine
CID 67760637
1-(6-ethylpyrimidin-4-yl)-3-methoxypropan-2-one
CID 63198665
2-[(6-ethylpyrimidin-4-yl)amino]acetic acid
CID 61236041

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-ethylpyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(6-ethylpyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate (CID 62955735) is methyl 2-[(6-ethylpyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-ethylpyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(6-ethylpyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate is CCc1cc(N(CC(=O)OC)CC(=O)OC)ncn1.
What is the InChIKey of methyl 2-[(6-ethylpyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is VEYOLZFUIDXJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-4-9-5-10(14-8-13-9)15(6-11(16)18-2)7-12(17)19-3/h5,8H,4,6-7H2,1-3H3.
What are the key properties of methyl 2-[(6-ethylpyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(6-ethylpyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 267.28 g/mol, XLogP of 0.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-ethylpyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 62955735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).