2-(1-ethoxypropyl)-4-propan-2-ylpyrimidine-5-carboxylic acid

C13H20N2O3 — CID 116728160

IUPAC2-(1-ethoxypropyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
SMILESCCOC(CC)c1ncc(C(=O)O)c(C(C)C)n1
InChIInChI=1S/C13H20N2O3/c1-5-10(18-6-2)12-14-7-9(13(16)17)11(15-12)8(3)4/h7-8,10H,5-6H2,1-4H3,(H,16,17)
InChIKeyYVZSJYMZGYTJBD-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.79
Rot. Bonds6

About 2-(1-ethoxypropyl)-4-propan-2-ylpyrimidine-5-carboxylic acid

2-(1-ethoxypropyl)-4-propan-2-ylpyrimidine-5-carboxylic acid (PubChem CID 116728160) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(1-ethoxypropyl)-4-propan-2-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-ethoxypropyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
PubChem CID116728160
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(1-ethoxypropyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
SMILESCCOC(CC)c1ncc(C(=O)O)c(C(C)C)n1
InChIInChI=1S/C13H20N2O3/c1-5-10(18-6-2)12-14-7-9(13(16)17)11(15-12)8(3)4/h7-8,10H,5-6H2,1-4H3,(H,16,17)
InChIKeyYVZSJYMZGYTJBD-UHFFFAOYSA-N
XLogP2.79
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylic acid
CID 116640823
ethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate
CID 22831820
ethyl 4-(chloromethyl)-2-(1-ethoxypropyl)pyrimidine-5-carboxylate
CID 102973408
1-[2-(1-ethoxybutyl)-4-methylpyrimidin-5-yl]ethanone
CID 116731021
2-(phenoxymethyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 62716397
2-(1-ethoxypropyl)-6-methylpyrimidine-4-carboxylic acid
CID 116731360
2-(4-phenylpiperazin-1-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 91888334
2-[ethoxy(phenyl)methyl]-4-ethylpyrimidine-5-carboxylic acid
CID 116775115
methyl 4-amino-2-(1-ethoxyethyl)pyrimidine-5-carboxylate
CID 116646657
2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 116732543
5-bromo-2-(1-ethoxyethyl)pyrimidine-4-carboxylic acid
CID 106512081
2-[(3,4-dimethoxyphenyl)methylamino]-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 91915946

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropyl)-4-propan-2-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(1-ethoxypropyl)-4-propan-2-ylpyrimidine-5-carboxylic acid (CID 116728160) is 2-(1-ethoxypropyl)-4-propan-2-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(1-ethoxypropyl)-4-propan-2-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(1-ethoxypropyl)-4-propan-2-ylpyrimidine-5-carboxylic acid is CCOC(CC)c1ncc(C(=O)O)c(C(C)C)n1.
What is the InChIKey of 2-(1-ethoxypropyl)-4-propan-2-ylpyrimidine-5-carboxylic acid?
The InChIKey is YVZSJYMZGYTJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-5-10(18-6-2)12-14-7-9(13(16)17)11(15-12)8(3)4/h7-8,10H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 2-(1-ethoxypropyl)-4-propan-2-ylpyrimidine-5-carboxylic acid?
2-(1-ethoxypropyl)-4-propan-2-ylpyrimidine-5-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropyl)-4-propan-2-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 116728160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).