methyl 1-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidine-3-carboxylate

C14H21N3O3 — CID 115973720

IUPACmethyl 1-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidine-3-carboxylate
SMILESCCOc1cc(C)nc(N2CC(C)C(C(=O)OC)C2)n1
InChIInChI=1S/C14H21N3O3/c1-5-20-12-6-10(3)15-14(16-12)17-7-9(2)11(8-17)13(18)19-4/h6,9,11H,5,7-8H2,1-4H3
InChIKeyNYHGPHVKLMMFLW-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.43
Rot. Bonds4

About methyl 1-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidine-3-carboxylate

methyl 1-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidine-3-carboxylate (PubChem CID 115973720) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 1-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidine-3-carboxylate
PubChem CID115973720
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Namemethyl 1-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidine-3-carboxylate
SMILESCCOc1cc(C)nc(N2CC(C)C(C(=O)OC)C2)n1
InChIInChI=1S/C14H21N3O3/c1-5-20-12-6-10(3)15-14(16-12)17-7-9(2)11(8-17)13(18)19-4/h6,9,11H,5,7-8H2,1-4H3
InChIKeyNYHGPHVKLMMFLW-UHFFFAOYSA-N
XLogP1.43
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]acetate
CID 115973733
1-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylpiperidin-3-amine
CID 112635064
1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-ol
CID 3228712
1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-3-amine
CID 112634785
1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 112634859
(3S,4S)-4-methyl-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 114085569
methyl 1-(1,2,4-benzotriazin-3-yl)-4-methylpyrrolidine-3-carboxylate
CID 103204962
2-[3-(chloromethyl)pyrrolidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635557
N-(4-ethoxyphenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide
CID 51611391
1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 112634894
N-(cyclopropylmethyl)-1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-amine
CID 115973572
3-amino-1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325390

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidine-3-carboxylate (CID 115973720) is methyl 1-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidine-3-carboxylate is CCOc1cc(C)nc(N2CC(C)C(C(=O)OC)C2)n1.
What is the InChIKey of methyl 1-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidine-3-carboxylate?
The InChIKey is NYHGPHVKLMMFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-5-20-12-6-10(3)15-14(16-12)17-7-9(2)11(8-17)13(18)19-4/h6,9,11H,5,7-8H2,1-4H3.
What are the key properties of methyl 1-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidine-3-carboxylate?
methyl 1-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidine-3-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 115973720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).