2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid

C15H17N3O3 — CID 54850304

IUPAC2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid
SMILESCCCCOc1ccccc1-c1cc(C(=O)O)nc(N)n1
InChIInChI=1S/C15H17N3O3/c1-2-3-8-21-13-7-5-4-6-10(13)11-9-12(14(19)20)18-15(16)17-11/h4-7,9H,2-3,8H2,1H3,(H,19,20)(H2,16,17,18)
InChIKeyIQVKFHLCXSWNDX-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.60
Rot. Bonds6

About 2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid

2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid (PubChem CID 54850304) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid
PubChem CID54850304
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid
SMILESCCCCOc1ccccc1-c1cc(C(=O)O)nc(N)n1
InChIInChI=1S/C15H17N3O3/c1-2-3-8-21-13-7-5-4-6-10(13)11-9-12(14(19)20)18-15(16)17-11/h4-7,9H,2-3,8H2,1H3,(H,19,20)(H2,16,17,18)
InChIKeyIQVKFHLCXSWNDX-UHFFFAOYSA-N
XLogP2.60
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 28799604
2-amino-N-methyl-6-(2-propoxyphenyl)pyrimidine-4-carboxamide
CID 54852313
2-amino-6-[2-(2-methoxyethoxy)phenyl]pyrimidine-4-carbohydrazide
CID 54851651
ethyl 2-amino-6-[2-(2-methylprop-2-enoxy)phenyl]pyrimidine-4-carboxylate
CID 54850288
2-amino-6-(2-prop-2-enoxyphenyl)pyrimidine-4-carboxamide
CID 54852211
2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid
CID 54851462
3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide
CID 71601259
2-amino-4-(2-hexoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54851875
6-(2-butoxy-4-fluorophenyl)pyrazine-2-carboxylic acid
CID 77091431
2-(2-butoxyphenyl)benzamide
CID 174985404
5-(2-propoxyphenyl)pyridine-2-carboxylic acid
CID 104660736
2-amino-6-[3-(2-methoxyethoxy)phenyl]pyrimidine-4-carboxylic acid
CID 54850290

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid (CID 54850304) is 2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid is CCCCOc1ccccc1-c1cc(C(=O)O)nc(N)n1.
What is the InChIKey of 2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid?
The InChIKey is IQVKFHLCXSWNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-3-8-21-13-7-5-4-6-10(13)11-9-12(14(19)20)18-15(16)17-11/h4-7,9H,2-3,8H2,1H3,(H,19,20)(H2,16,17,18).
What are the key properties of 2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid?
2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 54850304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).