2-amino-6-[3-(2-methoxyethoxy)phenyl]pyrimidine-4-carboxylic acid

C14H15N3O4 — CID 54850290

IUPAC2-amino-6-[3-(2-methoxyethoxy)phenyl]pyrimidine-4-carboxylic acid
SMILESCOCCOc1cccc(-c2cc(C(=O)O)nc(N)n2)c1
InChIInChI=1S/C14H15N3O4/c1-20-5-6-21-10-4-2-3-9(7-10)11-8-12(13(18)19)17-14(15)16-11/h2-4,7-8H,5-6H2,1H3,(H,18,19)(H2,15,16,17)
InChIKeyNXRMVKFYWCMTRF-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.45
Rot. Bonds6

About 2-amino-6-[3-(2-methoxyethoxy)phenyl]pyrimidine-4-carboxylic acid

2-amino-6-[3-(2-methoxyethoxy)phenyl]pyrimidine-4-carboxylic acid (PubChem CID 54850290) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-amino-6-[3-(2-methoxyethoxy)phenyl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-[3-(2-methoxyethoxy)phenyl]pyrimidine-4-carboxylic acid
PubChem CID54850290
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-amino-6-[3-(2-methoxyethoxy)phenyl]pyrimidine-4-carboxylic acid
SMILESCOCCOc1cccc(-c2cc(C(=O)O)nc(N)n2)c1
InChIInChI=1S/C14H15N3O4/c1-20-5-6-21-10-4-2-3-9(7-10)11-8-12(13(18)19)17-14(15)16-11/h2-4,7-8H,5-6H2,1H3,(H,18,19)(H2,15,16,17)
InChIKeyNXRMVKFYWCMTRF-UHFFFAOYSA-N
XLogP1.45
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(3-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid
CID 54850447
ethyl 2-amino-6-(3-hexoxyphenyl)pyrimidine-4-carboxylate
CID 54850308
2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylic acid
CID 54850598
2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 28799604
2-amino-6-(2-butoxyphenyl)pyrimidine-4-carboxylic acid
CID 54850304
2-amino-6-(4-fluorophenyl)pyrimidine-4-carboxylic acid
CID 28799560
1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene
CID 91316664
2-amino-N-ethyl-6-(4-propoxyphenyl)pyrimidine-4-carboxamide
CID 54853940
8-methoxy-2-(3-propoxyphenyl)quinoline-4-carboxylic acid
CID 7139834
2-amino-5-(2-methoxyethoxy)benzoic acid
CID 12719199
2-amino-6-[3-cyano-4-(2-methylpropoxy)phenyl]pyrimidine-4-carboxylic acid
CID 71520700
2-(3-butoxyphenyl)quinoline-4-carbohydrazide
CID 3492380

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-(2-methoxyethoxy)phenyl]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-amino-6-[3-(2-methoxyethoxy)phenyl]pyrimidine-4-carboxylic acid (CID 54850290) is 2-amino-6-[3-(2-methoxyethoxy)phenyl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-amino-6-[3-(2-methoxyethoxy)phenyl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-amino-6-[3-(2-methoxyethoxy)phenyl]pyrimidine-4-carboxylic acid is COCCOc1cccc(-c2cc(C(=O)O)nc(N)n2)c1.
What is the InChIKey of 2-amino-6-[3-(2-methoxyethoxy)phenyl]pyrimidine-4-carboxylic acid?
The InChIKey is NXRMVKFYWCMTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-20-5-6-21-10-4-2-3-9(7-10)11-8-12(13(18)19)17-14(15)16-11/h2-4,7-8H,5-6H2,1H3,(H,18,19)(H2,15,16,17).
What are the key properties of 2-amino-6-[3-(2-methoxyethoxy)phenyl]pyrimidine-4-carboxylic acid?
2-amino-6-[3-(2-methoxyethoxy)phenyl]pyrimidine-4-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[3-(2-methoxyethoxy)phenyl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 54850290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).