6-(ethylamino)-2-[(2-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid

C14H14FN3O3 — CID 82169857

IUPAC6-(ethylamino)-2-[(2-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid
SMILESCCNc1cc(C(=O)O)nc(COc2ccccc2F)n1
InChIInChI=1S/C14H14FN3O3/c1-2-16-12-7-10(14(19)20)17-13(18-12)8-21-11-6-4-3-5-9(11)15/h3-7H,2,8H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyITZYSHOAVRJGCM-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.32
Rot. Bonds6

About 6-(ethylamino)-2-[(2-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid

6-(ethylamino)-2-[(2-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid (PubChem CID 82169857) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 6-(ethylamino)-2-[(2-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(ethylamino)-2-[(2-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid
PubChem CID82169857
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name6-(ethylamino)-2-[(2-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid
SMILESCCNc1cc(C(=O)O)nc(COc2ccccc2F)n1
InChIInChI=1S/C14H14FN3O3/c1-2-16-12-7-10(14(19)20)17-13(18-12)8-21-11-6-4-3-5-9(11)15/h3-7H,2,8H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyITZYSHOAVRJGCM-UHFFFAOYSA-N
XLogP2.32
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorophenoxy)methyl]-6-(propylamino)pyrimidine-4-carboxylic acid
CID 82169959
2-ethyl-6-(ethylamino)pyrimidine-4-carboxylic acid
CID 82169792
2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80654842
6-(ethylamino)-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid
CID 82169806
2-[2-(2-ethylphenoxy)ethyl]-6-(methylamino)pyrimidine-4-carboxylic acid
CID 82169776
N-ethyl-5-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62194578
1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 122351688
2-[(3-ethylphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid
CID 82169750
2-[(3-methoxyphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid
CID 82169766
6-anilino-2-ethylpyrimidine-4-carboxylic acid
CID 82293665
N-butan-2-yl-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712817
6-N,2-diethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80933584

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-2-[(2-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(ethylamino)-2-[(2-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid (CID 82169857) is 6-(ethylamino)-2-[(2-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(ethylamino)-2-[(2-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(ethylamino)-2-[(2-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid is CCNc1cc(C(=O)O)nc(COc2ccccc2F)n1.
What is the InChIKey of 6-(ethylamino)-2-[(2-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid?
The InChIKey is ITZYSHOAVRJGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-2-16-12-7-10(14(19)20)17-13(18-12)8-21-11-6-4-3-5-9(11)15/h3-7H,2,8H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 6-(ethylamino)-2-[(2-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid?
6-(ethylamino)-2-[(2-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid has a molecular weight of 291.28 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-2-[(2-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 82169857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).