2-amino-4-(methoxymethyl)pyrimidine-5-carboxylic acid

C7H9N3O3 — CID 14639222

IUPAC2-amino-4-(methoxymethyl)pyrimidine-5-carboxylic acid
SMILESCOCc1nc(N)ncc1C(=O)O
InChIInChI=1S/C7H9N3O3/c1-13-3-5-4(6(11)12)2-9-7(8)10-5/h2H,3H2,1H3,(H,11,12)(H2,8,9,10)
InChIKeyMLTOOLRXORLYOJ-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.10
Rot. Bonds3

About 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylic acid

2-amino-4-(methoxymethyl)pyrimidine-5-carboxylic acid (PubChem CID 14639222) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(methoxymethyl)pyrimidine-5-carboxylic acid
PubChem CID14639222
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-amino-4-(methoxymethyl)pyrimidine-5-carboxylic acid
SMILESCOCc1nc(N)ncc1C(=O)O
InChIInChI=1S/C7H9N3O3/c1-13-3-5-4(6(11)12)2-9-7(8)10-5/h2H,3H2,1H3,(H,11,12)(H2,8,9,10)
InChIKeyMLTOOLRXORLYOJ-UHFFFAOYSA-N
XLogP-0.10
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylic acid (CID 14639222) is 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylic acid is COCc1nc(N)ncc1C(=O)O.
What is the InChIKey of 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylic acid?
The InChIKey is MLTOOLRXORLYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-13-3-5-4(6(11)12)2-9-7(8)10-5/h2H,3H2,1H3,(H,11,12)(H2,8,9,10).
What are the key properties of 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylic acid?
2-amino-4-(methoxymethyl)pyrimidine-5-carboxylic acid has a molecular weight of 183.17 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 14639222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).