2-[2-(2-ethylphenoxy)ethyl]-6-(methylamino)pyrimidine-4-carboxylic acid

C16H19N3O3 — CID 82169776

IUPAC2-[2-(2-ethylphenoxy)ethyl]-6-(methylamino)pyrimidine-4-carboxylic acid
SMILESCCc1ccccc1OCCc1nc(NC)cc(C(=O)O)n1
InChIInChI=1S/C16H19N3O3/c1-3-11-6-4-5-7-13(11)22-9-8-14-18-12(16(20)21)10-15(17-2)19-14/h4-7,10H,3,8-9H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyXYOANFYUTJCCER-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.40
Rot. Bonds7

About 2-[2-(2-ethylphenoxy)ethyl]-6-(methylamino)pyrimidine-4-carboxylic acid

2-[2-(2-ethylphenoxy)ethyl]-6-(methylamino)pyrimidine-4-carboxylic acid (PubChem CID 82169776) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[2-(2-ethylphenoxy)ethyl]-6-(methylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-ethylphenoxy)ethyl]-6-(methylamino)pyrimidine-4-carboxylic acid
PubChem CID82169776
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-[2-(2-ethylphenoxy)ethyl]-6-(methylamino)pyrimidine-4-carboxylic acid
SMILESCCc1ccccc1OCCc1nc(NC)cc(C(=O)O)n1
InChIInChI=1S/C16H19N3O3/c1-3-11-6-4-5-7-13(11)22-9-8-14-18-12(16(20)21)10-15(17-2)19-14/h4-7,10H,3,8-9H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyXYOANFYUTJCCER-UHFFFAOYSA-N
XLogP2.40
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-ethylphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid
CID 82169750
6-chloro-2-[2-(2-methylphenoxy)ethyl]pyrimidine-4-carboxylic acid
CID 82168842
2-(benzenesulfonylmethyl)-6-(methylamino)pyrimidine-4-carboxylic acid
CID 82169741
2-[(3-methoxyphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid
CID 82169766
6-(ethylamino)-2-[(2-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid
CID 82169857
2-[(2-methoxyphenyl)methyl]-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid
CID 82169905
6-anilino-2-ethylpyrimidine-4-carboxylic acid
CID 82293665
1-[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanone
CID 82516467
4-(2-ethylphenoxy)-2-(methylamino)butanoic acid
CID 63034947
5-(2-ethylphenoxy)pentanoic acid
CID 43351498
2-ethyl-6-(ethylamino)pyrimidine-4-carboxylic acid
CID 82169792
6-(2-ethylphenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80874565

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylphenoxy)ethyl]-6-(methylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[2-(2-ethylphenoxy)ethyl]-6-(methylamino)pyrimidine-4-carboxylic acid (CID 82169776) is 2-[2-(2-ethylphenoxy)ethyl]-6-(methylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(2-ethylphenoxy)ethyl]-6-(methylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[2-(2-ethylphenoxy)ethyl]-6-(methylamino)pyrimidine-4-carboxylic acid is CCc1ccccc1OCCc1nc(NC)cc(C(=O)O)n1.
What is the InChIKey of 2-[2-(2-ethylphenoxy)ethyl]-6-(methylamino)pyrimidine-4-carboxylic acid?
The InChIKey is XYOANFYUTJCCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-11-6-4-5-7-13(11)22-9-8-14-18-12(16(20)21)10-15(17-2)19-14/h4-7,10H,3,8-9H2,1-2H3,(H,20,21)(H,17,18,19).
What are the key properties of 2-[2-(2-ethylphenoxy)ethyl]-6-(methylamino)pyrimidine-4-carboxylic acid?
2-[2-(2-ethylphenoxy)ethyl]-6-(methylamino)pyrimidine-4-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylphenoxy)ethyl]-6-(methylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 82169776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).