methyl 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylate

C10H15N3O3 — CID 116646657

IUPACmethyl 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylate
SMILESCCOC(C)c1ncc(C(=O)OC)c(N)n1
InChIInChI=1S/C10H15N3O3/c1-4-16-6(2)9-12-5-7(8(11)13-9)10(14)15-3/h5-6H,4H2,1-3H3,(H2,11,12,13)
InChIKeyYTJFUGNMJDIUQX-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.94
Rot. Bonds4

About methyl 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylate

methyl 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylate (PubChem CID 116646657) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylate
PubChem CID116646657
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Namemethyl 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylate
SMILESCCOC(C)c1ncc(C(=O)OC)c(N)n1
InChIInChI=1S/C10H15N3O3/c1-4-16-6(2)9-12-5-7(8(11)13-9)10(14)15-3/h5-6H,4H2,1-3H3,(H2,11,12,13)
InChIKeyYTJFUGNMJDIUQX-UHFFFAOYSA-N
XLogP0.94
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylic acid
CID 116640823
ethyl 4-(chloromethyl)-2-(1-methoxyethyl)pyrimidine-5-carboxylate
CID 102973323
methyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646751
2-(1-ethoxyethyl)-4-methylpyrimidin-5-amine
CID 130483651
methyl 4-amino-2-(2,2-dimethylpropyl)pyrimidine-5-carboxylate
CID 116646618
ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646909
5-bromo-2-(1-ethoxyethyl)pyrimidine-4-carboxylic acid
CID 106512081
ethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate
CID 22831820
ethyl 4-amino-2-(2-methoxypropan-2-yl)pyrimidine-5-carboxylate
CID 116646797
ethyl 4-amino-2-(1-ethoxy-1-oxopropan-2-yl)sulfanylpyrimidine-5-carboxylate
CID 78987540
ethyl 4-(chloromethyl)-2-(1-ethoxypropyl)pyrimidine-5-carboxylate
CID 102973408
methyl 2-amino-4-[(2S)-butan-2-yl]oxypyrimidine-5-carboxylate
CID 164554913

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylate (CID 116646657) is methyl 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylate is CCOC(C)c1ncc(C(=O)OC)c(N)n1.
What is the InChIKey of methyl 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylate?
The InChIKey is YTJFUGNMJDIUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-4-16-6(2)9-12-5-7(8(11)13-9)10(14)15-3/h5-6H,4H2,1-3H3,(H2,11,12,13).
What are the key properties of methyl 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylate?
methyl 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 116646657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).