4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylic acid

C9H13N3O3 — CID 116640823

IUPAC4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylic acid
SMILESCCOC(C)c1ncc(C(=O)O)c(N)n1
InChIInChI=1S/C9H13N3O3/c1-3-15-5(2)8-11-4-6(9(13)14)7(10)12-8/h4-5H,3H2,1-2H3,(H,13,14)(H2,10,11,12)
InChIKeyKUHLWKRLIKENBS-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.85
Rot. Bonds4

About 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylic acid

4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylic acid (PubChem CID 116640823) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylic acid
PubChem CID116640823
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylic acid
SMILESCCOC(C)c1ncc(C(=O)O)c(N)n1
InChIInChI=1S/C9H13N3O3/c1-3-15-5(2)8-11-4-6(9(13)14)7(10)12-8/h4-5H,3H2,1-2H3,(H,13,14)(H2,10,11,12)
InChIKeyKUHLWKRLIKENBS-UHFFFAOYSA-N
XLogP0.85
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylate
CID 116646657
5-bromo-2-(1-ethoxyethyl)pyrimidine-4-carboxylic acid
CID 106512081
2-(1-ethoxypropyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 116728160
2-(1-ethoxyethyl)-4-methylpyrimidin-5-amine
CID 130483651
ethyl 4-(chloromethyl)-2-(1-methoxyethyl)pyrimidine-5-carboxylate
CID 102973323
2-[ethoxy(phenyl)methyl]-4-ethylpyrimidine-5-carboxylic acid
CID 116775115
ethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate
CID 22831820
4-amino-2-chloropyrimidine-5-carboxylic acid
CID 46863895
ethyl 4-(chloromethyl)-2-(1-ethoxypropyl)pyrimidine-5-carboxylate
CID 102973408
1-[2-(1-ethoxyethyl)pyrimidin-5-yl]butan-2-amine
CID 64535247
4-amino-2-[(dimethylamino)methyl]pyrimidine-5-carboxylic acid
CID 116640960
4-[4-(1-ethoxyethyl)phenyl]-2-methylsulfanylpyrimidine-5-carboxylic acid
CID 122558003

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylic acid (CID 116640823) is 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylic acid is CCOC(C)c1ncc(C(=O)O)c(N)n1.
What is the InChIKey of 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylic acid?
The InChIKey is KUHLWKRLIKENBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-3-15-5(2)8-11-4-6(9(13)14)7(10)12-8/h4-5H,3H2,1-2H3,(H,13,14)(H2,10,11,12).
What are the key properties of 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylic acid?
4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116640823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).