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

C14H14FN3O3 — CID 82170190

IUPAC6-(dimethylamino)-2-[(4-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid
SMILESCN(C)c1cc(C(=O)O)nc(COc2ccc(F)cc2)n1
InChIInChI=1S/C14H14FN3O3/c1-18(2)13-7-11(14(19)20)16-12(17-13)8-21-10-5-3-9(15)4-6-10/h3-7H,8H2,1-2H3,(H,19,20)
InChIKeyZDAJMDRQWGLDPC-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.96
Rot. Bonds5

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

6-(dimethylamino)-2-[(4-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid (PubChem CID 82170190) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 6-(dimethylamino)-2-[(4-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(dimethylamino)-2-[(4-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid
PubChem CID82170190
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name6-(dimethylamino)-2-[(4-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid
SMILESCN(C)c1cc(C(=O)O)nc(COc2ccc(F)cc2)n1
InChIInChI=1S/C14H14FN3O3/c1-18(2)13-7-11(14(19)20)16-12(17-13)8-21-10-5-3-9(15)4-6-10/h3-7H,8H2,1-2H3,(H,19,20)
InChIKeyZDAJMDRQWGLDPC-UHFFFAOYSA-N
XLogP1.96
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorophenoxy)methyl]-6-(propylamino)pyrimidine-4-carboxylic acid
CID 82169959
6-(diethylamino)-2-(phenoxymethyl)pyrimidine-4-carboxylic acid
CID 82170225
6-chloro-2-(phenoxymethyl)pyrimidine-4-carboxylic acid
CID 82168815
6-(dimethylamino)-2-[(2-methylphenyl)methyl]pyrimidine-4-carboxylic acid
CID 82170163
1-ethyl-5-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 117217340
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxylate
CID 30778605
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 122322502
6-(dimethylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid
CID 83852290
2-[4-[2-(4-fluorophenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22679862
6-chloro-2-[(3-methylphenoxy)methyl]pyrimidine-4-carboxylic acid
CID 82168817
6-(ethylamino)-2-[(2-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid
CID 82169857
2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117257810

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-[(4-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(dimethylamino)-2-[(4-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid (CID 82170190) is 6-(dimethylamino)-2-[(4-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(dimethylamino)-2-[(4-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(dimethylamino)-2-[(4-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid is CN(C)c1cc(C(=O)O)nc(COc2ccc(F)cc2)n1.
What is the InChIKey of 6-(dimethylamino)-2-[(4-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid?
The InChIKey is ZDAJMDRQWGLDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-18(2)13-7-11(14(19)20)16-12(17-13)8-21-10-5-3-9(15)4-6-10/h3-7H,8H2,1-2H3,(H,19,20).
What are the key properties of 6-(dimethylamino)-2-[(4-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid?
6-(dimethylamino)-2-[(4-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid has a molecular weight of 291.28 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-[(4-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 82170190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).