(2-methoxyphenyl) 2-aminopyrimidine-4-carboxylate

C12H11N3O3 — CID 117212800

IUPAC(2-methoxyphenyl) 2-aminopyrimidine-4-carboxylate
SMILESCOc1ccccc1OC(=O)c1ccnc(N)n1
InChIInChI=1S/C12H11N3O3/c1-17-9-4-2-3-5-10(9)18-11(16)8-6-7-14-12(13)15-8/h2-7H,1H3,(H2,13,14,15)
InChIKeyNVNYEXRNMZSVSA-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.29
Rot. Bonds3

About (2-methoxyphenyl) 2-aminopyrimidine-4-carboxylate

(2-methoxyphenyl) 2-aminopyrimidine-4-carboxylate (PubChem CID 117212800) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is (2-methoxyphenyl) 2-aminopyrimidine-4-carboxylate.

Molecular Properties

Compound Name(2-methoxyphenyl) 2-aminopyrimidine-4-carboxylate
PubChem CID117212800
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name(2-methoxyphenyl) 2-aminopyrimidine-4-carboxylate
SMILESCOc1ccccc1OC(=O)c1ccnc(N)n1
InChIInChI=1S/C12H11N3O3/c1-17-9-4-2-3-5-10(9)18-11(16)8-6-7-14-12(13)15-8/h2-7H,1H3,(H2,13,14,15)
InChIKeyNVNYEXRNMZSVSA-UHFFFAOYSA-N
XLogP1.29
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methoxyphenoxy)carbonylpyrazine-2-carboxylic acid
CID 117212928
(2-methoxyphenyl) 2-methylpropanoate
CID 836904
3-O-(2-methoxyphenyl) 1-O-methyl 2-methylpropanedioate
CID 57097256
5-(2-methoxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid
CID 117218096
(2-methoxyphenyl) 2-phenylquinoline-4-carboxylate
CID 1128700
2-(2-methoxyphenoxy)-2-oxoacetic acid
CID 14886364
(2-methoxyphenyl) 3-ethoxynaphthalene-2-carboxylate
CID 24505759
5-(2-methoxyphenoxy)carbonyl-1,3-thiazole-4-carboxylic acid
CID 117214754
2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 28799604
(2-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate
CID 8778526
4-(2-fluoro-3-methoxyphenyl)pyrimidin-2-amine
CID 82812333
(2-chlorophenyl) 3,4-dimethoxybenzoate
CID 19181520

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 2-aminopyrimidine-4-carboxylate?
The IUPAC name of (2-methoxyphenyl) 2-aminopyrimidine-4-carboxylate (CID 117212800) is (2-methoxyphenyl) 2-aminopyrimidine-4-carboxylate.
What is the SMILES notation for (2-methoxyphenyl) 2-aminopyrimidine-4-carboxylate?
The canonical SMILES for (2-methoxyphenyl) 2-aminopyrimidine-4-carboxylate is COc1ccccc1OC(=O)c1ccnc(N)n1.
What is the InChIKey of (2-methoxyphenyl) 2-aminopyrimidine-4-carboxylate?
The InChIKey is NVNYEXRNMZSVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-17-9-4-2-3-5-10(9)18-11(16)8-6-7-14-12(13)15-8/h2-7H,1H3,(H2,13,14,15).
What are the key properties of (2-methoxyphenyl) 2-aminopyrimidine-4-carboxylate?
(2-methoxyphenyl) 2-aminopyrimidine-4-carboxylate has a molecular weight of 245.24 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 2-aminopyrimidine-4-carboxylate is sourced from PubChem (CID 117212800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).