2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylic acid

C16H19N3O4 — CID 54850598

IUPAC2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylic acid
SMILESCCOCCOc1cccc(-c2nc(N)nc(C)c2C(=O)O)c1
InChIInChI=1S/C16H19N3O4/c1-3-22-7-8-23-12-6-4-5-11(9-12)14-13(15(20)21)10(2)18-16(17)19-14/h4-6,9H,3,7-8H2,1-2H3,(H,20,21)(H2,17,18,19)
InChIKeyUTBNURBZDVMWNZ-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.15
Rot. Bonds7

About 2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylic acid

2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylic acid (PubChem CID 54850598) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylic acid
PubChem CID54850598
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylic acid
SMILESCCOCCOc1cccc(-c2nc(N)nc(C)c2C(=O)O)c1
InChIInChI=1S/C16H19N3O4/c1-3-22-7-8-23-12-6-4-5-11(9-12)14-13(15(20)21)10(2)18-16(17)19-14/h4-6,9H,3,7-8H2,1-2H3,(H,20,21)(H2,17,18,19)
InChIKeyUTBNURBZDVMWNZ-UHFFFAOYSA-N
XLogP2.15
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-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

2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carbohydrazide
CID 54850597
2-amino-4-(3-butoxyphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853822
2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide
CID 54853812
2-amino-4-(3-bromo-4-propoxyphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 54851688
ethyl 2-amino-4-[4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylate
CID 54851650
2-amino-6-[3-(2-methoxyethoxy)phenyl]pyrimidine-4-carboxylic acid
CID 54850290
2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid
CID 54851462
2-amino-6-(2-ethoxyethoxy)benzoic acid
CID 107341443
ethyl 2-amino-6-(3-hexoxyphenyl)pyrimidine-4-carboxylate
CID 54850308
1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
CID 118036057
2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide
CID 54850497
2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852026

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylic acid (CID 54850598) is 2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylic acid is CCOCCOc1cccc(-c2nc(N)nc(C)c2C(=O)O)c1.
What is the InChIKey of 2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylic acid?
The InChIKey is UTBNURBZDVMWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-3-22-7-8-23-12-6-4-5-11(9-12)14-13(15(20)21)10(2)18-16(17)19-14/h4-6,9H,3,7-8H2,1-2H3,(H,20,21)(H2,17,18,19).
What are the key properties of 2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylic acid?
2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylic acid has a molecular weight of 317.35 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 54850598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).