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

C15H16FN3O3 — CID 82169959

IUPAC2-[(4-fluorophenoxy)methyl]-6-(propylamino)pyrimidine-4-carboxylic acid
SMILESCCCNc1cc(C(=O)O)nc(COc2ccc(F)cc2)n1
InChIInChI=1S/C15H16FN3O3/c1-2-7-17-13-8-12(15(20)21)18-14(19-13)9-22-11-5-3-10(16)4-6-11/h3-6,8H,2,7,9H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyCTGVZWKUVMKIOY-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.71
Rot. Bonds7

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

2-[(4-fluorophenoxy)methyl]-6-(propylamino)pyrimidine-4-carboxylic acid (PubChem CID 82169959) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-6-(propylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-6-(propylamino)pyrimidine-4-carboxylic acid
PubChem CID82169959
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name2-[(4-fluorophenoxy)methyl]-6-(propylamino)pyrimidine-4-carboxylic acid
SMILESCCCNc1cc(C(=O)O)nc(COc2ccc(F)cc2)n1
InChIInChI=1S/C15H16FN3O3/c1-2-7-17-13-8-12(15(20)21)18-14(19-13)9-22-11-5-3-10(16)4-6-11/h3-6,8H,2,7,9H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyCTGVZWKUVMKIOY-UHFFFAOYSA-N
XLogP2.71
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-fluorophenoxy)methyl]-6-(propylamino)pyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(dimethylamino)-2-[(4-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid
CID 82170190
6-(ethylamino)-2-[(2-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid
CID 82169857
2-(phenoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62716221
2-(phenylsulfanylmethyl)-6-(propylamino)pyrimidine-4-carboxylic acid
CID 82169953
2-[(3-ethylphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid
CID 82169750
2-[4-(4-fluorophenoxy)phenyl]-6-(propylamino)pyrimidine-4-carboxamide
CID 130181617
2-[(3-methoxyphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid
CID 82169766
2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80664925
6-(ethylamino)-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid
CID 82169806
2-ethyl-6-(ethylamino)pyrimidine-4-carboxylic acid
CID 82169792
6-(methylamino)-2-[(3-propan-2-ylphenoxy)methyl]pyrimidine-4-carboxylic acid
CID 82169751
1-ethyl-5-[(4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 117217340

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-6-(propylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-6-(propylamino)pyrimidine-4-carboxylic acid (CID 82169959) is 2-[(4-fluorophenoxy)methyl]-6-(propylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-6-(propylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-6-(propylamino)pyrimidine-4-carboxylic acid is CCCNc1cc(C(=O)O)nc(COc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-6-(propylamino)pyrimidine-4-carboxylic acid?
The InChIKey is CTGVZWKUVMKIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-2-7-17-13-8-12(15(20)21)18-14(19-13)9-22-11-5-3-10(16)4-6-11/h3-6,8H,2,7,9H2,1H3,(H,20,21)(H,17,18,19).
What are the key properties of 2-[(4-fluorophenoxy)methyl]-6-(propylamino)pyrimidine-4-carboxylic acid?
2-[(4-fluorophenoxy)methyl]-6-(propylamino)pyrimidine-4-carboxylic acid has a molecular weight of 305.31 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-6-(propylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 82169959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).