methyl 4-amino-2-(2-methoxyphenyl)pyrimidine-5-carboxylate

C13H13N3O3 — CID 116646649

IUPACmethyl 4-amino-2-(2-methoxyphenyl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccccc2OC)nc1N
InChIInChI=1S/C13H13N3O3/c1-18-10-6-4-3-5-8(10)12-15-7-9(11(14)16-12)13(17)19-2/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyWOXOEIMFQSTOCG-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.52
Rot. Bonds3

About methyl 4-amino-2-(2-methoxyphenyl)pyrimidine-5-carboxylate

methyl 4-amino-2-(2-methoxyphenyl)pyrimidine-5-carboxylate (PubChem CID 116646649) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is methyl 4-amino-2-(2-methoxyphenyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-(2-methoxyphenyl)pyrimidine-5-carboxylate
PubChem CID116646649
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Namemethyl 4-amino-2-(2-methoxyphenyl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccccc2OC)nc1N
InChIInChI=1S/C13H13N3O3/c1-18-10-6-4-3-5-8(10)12-15-7-9(11(14)16-12)13(17)19-2/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyWOXOEIMFQSTOCG-UHFFFAOYSA-N
XLogP1.52
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-butyl-2-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 83567272
methyl 4-amino-2-(5-bromo-2-fluorophenyl)pyrimidine-5-carboxylate
CID 116865037
methyl 4-amino-2-(2-bromo-3,4-difluorophenyl)pyrimidine-5-carboxylate
CID 107541127
ethyl 4-amino-2-(2-methoxy-4-methylphenyl)pyrimidine-5-carboxylate
CID 106793658
4-(dimethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylic acid
CID 82169248
4-amino-2-(2-butoxyphenyl)-N-methylpyrimidine-5-carboxamide
CID 83567296
ethyl 4-(diethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylate
CID 59517774
methyl 4-amino-2-(3-bromophenyl)pyrimidine-5-carboxylate
CID 116646647
ethane;methyl 2-methoxybenzoate
CID 178037044
methyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646751
ethyl 4-amino-2-[(2-methoxyphenoxy)methyl]pyrimidine-5-carboxylate
CID 82168477
2-(2-methoxyphenyl)-5-methylpyrimidine
CID 155698550

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-(2-methoxyphenyl)pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-amino-2-(2-methoxyphenyl)pyrimidine-5-carboxylate (CID 116646649) is methyl 4-amino-2-(2-methoxyphenyl)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-amino-2-(2-methoxyphenyl)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-amino-2-(2-methoxyphenyl)pyrimidine-5-carboxylate is COC(=O)c1cnc(-c2ccccc2OC)nc1N.
What is the InChIKey of methyl 4-amino-2-(2-methoxyphenyl)pyrimidine-5-carboxylate?
The InChIKey is WOXOEIMFQSTOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-18-10-6-4-3-5-8(10)12-15-7-9(11(14)16-12)13(17)19-2/h3-7H,1-2H3,(H2,14,15,16).
What are the key properties of methyl 4-amino-2-(2-methoxyphenyl)pyrimidine-5-carboxylate?
methyl 4-amino-2-(2-methoxyphenyl)pyrimidine-5-carboxylate has a molecular weight of 259.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-(2-methoxyphenyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 116646649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).