2-[3-[2-(2-methoxyphenoxy)ethyl-methylamino]propylamino]pyrimidine-4-carboxylic acid

C18H24N4O4 — CID 67791937

IUPAC2-[3-[2-(2-methoxyphenoxy)ethyl-methylamino]propylamino]pyrimidine-4-carboxylic acid
SMILESCOc1ccccc1OCCN(C)CCCNc1nccc(C(=O)O)n1
InChIInChI=1S/C18H24N4O4/c1-22(12-13-26-16-7-4-3-6-15(16)25-2)11-5-9-19-18-20-10-8-14(21-18)17(23)24/h3-4,6-8,10H,5,9,11-13H2,1-2H3,(H,23,24)(H,19,20,21)
InChIKeyANERSLGBEIWQDN-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.00
Rot. Bonds11

About 2-[3-[2-(2-methoxyphenoxy)ethyl-methylamino]propylamino]pyrimidine-4-carboxylic acid

2-[3-[2-(2-methoxyphenoxy)ethyl-methylamino]propylamino]pyrimidine-4-carboxylic acid (PubChem CID 67791937) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[3-[2-(2-methoxyphenoxy)ethyl-methylamino]propylamino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-[2-(2-methoxyphenoxy)ethyl-methylamino]propylamino]pyrimidine-4-carboxylic acid
PubChem CID67791937
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name2-[3-[2-(2-methoxyphenoxy)ethyl-methylamino]propylamino]pyrimidine-4-carboxylic acid
SMILESCOc1ccccc1OCCN(C)CCCNc1nccc(C(=O)O)n1
InChIInChI=1S/C18H24N4O4/c1-22(12-13-26-16-7-4-3-6-15(16)25-2)11-5-9-19-18-20-10-8-14(21-18)17(23)24/h3-4,6-8,10H,5,9,11-13H2,1-2H3,(H,23,24)(H,19,20,21)
InChIKeyANERSLGBEIWQDN-UHFFFAOYSA-N
XLogP2.00
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-methoxyphenoxy)ethyl-methylamino]propylamino]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[3-[2-(2-methoxyphenoxy)ethyl-methylamino]propylamino]pyrimidine-4-carboxylic acid (CID 67791937) is 2-[3-[2-(2-methoxyphenoxy)ethyl-methylamino]propylamino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[3-[2-(2-methoxyphenoxy)ethyl-methylamino]propylamino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[3-[2-(2-methoxyphenoxy)ethyl-methylamino]propylamino]pyrimidine-4-carboxylic acid is COc1ccccc1OCCN(C)CCCNc1nccc(C(=O)O)n1.
What is the InChIKey of 2-[3-[2-(2-methoxyphenoxy)ethyl-methylamino]propylamino]pyrimidine-4-carboxylic acid?
The InChIKey is ANERSLGBEIWQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-22(12-13-26-16-7-4-3-6-15(16)25-2)11-5-9-19-18-20-10-8-14(21-18)17(23)24/h3-4,6-8,10H,5,9,11-13H2,1-2H3,(H,23,24)(H,19,20,21).
What are the key properties of 2-[3-[2-(2-methoxyphenoxy)ethyl-methylamino]propylamino]pyrimidine-4-carboxylic acid?
2-[3-[2-(2-methoxyphenoxy)ethyl-methylamino]propylamino]pyrimidine-4-carboxylic acid has a molecular weight of 360.41 g/mol, XLogP of 2.00, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-methoxyphenoxy)ethyl-methylamino]propylamino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 67791937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).