2-(3-methoxypropylamino)-4-methylpyrimidine-5-carboxylic acid

C10H15N3O3 — CID 46397635

IUPAC2-(3-methoxypropylamino)-4-methylpyrimidine-5-carboxylic acid
SMILESCOCCCNc1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C10H15N3O3/c1-7-8(9(14)15)6-12-10(13-7)11-4-3-5-16-2/h6H,3-5H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyQZZUGLRSJBVCGN-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.93
Rot. Bonds6

About 2-(3-methoxypropylamino)-4-methylpyrimidine-5-carboxylic acid

2-(3-methoxypropylamino)-4-methylpyrimidine-5-carboxylic acid (PubChem CID 46397635) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(3-methoxypropylamino)-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxypropylamino)-4-methylpyrimidine-5-carboxylic acid
PubChem CID46397635
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-(3-methoxypropylamino)-4-methylpyrimidine-5-carboxylic acid
SMILESCOCCCNc1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C10H15N3O3/c1-7-8(9(14)15)6-12-10(13-7)11-4-3-5-16-2/h6H,3-5H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyQZZUGLRSJBVCGN-UHFFFAOYSA-N
XLogP0.93
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.93
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylamino)-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(3-methoxypropylamino)-4-methylpyrimidine-5-carboxylic acid (CID 46397635) is 2-(3-methoxypropylamino)-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(3-methoxypropylamino)-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(3-methoxypropylamino)-4-methylpyrimidine-5-carboxylic acid is COCCCNc1ncc(C(=O)O)c(C)n1.
What is the InChIKey of 2-(3-methoxypropylamino)-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is QZZUGLRSJBVCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7-8(9(14)15)6-12-10(13-7)11-4-3-5-16-2/h6H,3-5H2,1-2H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-(3-methoxypropylamino)-4-methylpyrimidine-5-carboxylic acid?
2-(3-methoxypropylamino)-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylamino)-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 46397635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).