2-amino-4-[1-(2-methoxyphenoxy)ethyl]-6-methylpyrimidine-5-carboxylic acid

C15H17N3O4 — CID 54851712

IUPAC2-amino-4-[1-(2-methoxyphenoxy)ethyl]-6-methylpyrimidine-5-carboxylic acid
SMILESCOc1ccccc1OC(C)c1nc(N)nc(C)c1C(=O)O
InChIInChI=1S/C15H17N3O4/c1-8-12(14(19)20)13(18-15(16)17-8)9(2)22-11-7-5-4-6-10(11)21-3/h4-7,9H,1-3H3,(H,19,20)(H2,16,17,18)
InChIKeyRMRSWJVQEDQUNQ-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.21
Rot. Bonds5

About 2-amino-4-[1-(2-methoxyphenoxy)ethyl]-6-methylpyrimidine-5-carboxylic acid

2-amino-4-[1-(2-methoxyphenoxy)ethyl]-6-methylpyrimidine-5-carboxylic acid (PubChem CID 54851712) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-amino-4-[1-(2-methoxyphenoxy)ethyl]-6-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-[1-(2-methoxyphenoxy)ethyl]-6-methylpyrimidine-5-carboxylic acid
PubChem CID54851712
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-amino-4-[1-(2-methoxyphenoxy)ethyl]-6-methylpyrimidine-5-carboxylic acid
SMILESCOc1ccccc1OC(C)c1nc(N)nc(C)c1C(=O)O
InChIInChI=1S/C15H17N3O4/c1-8-12(14(19)20)13(18-15(16)17-8)9(2)22-11-7-5-4-6-10(11)21-3/h4-7,9H,1-3H3,(H,19,20)(H2,16,17,18)
InChIKeyRMRSWJVQEDQUNQ-UHFFFAOYSA-N
XLogP2.21
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-amino-4-methyl-6-(1-phenoxyethyl)pyrimidine-5-carboxylate
CID 54851451
2-amino-4-methyl-6-[1-(3-methylphenoxy)ethyl]pyrimidine-5-carboxamide
CID 54850894
4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid
CID 54588453
2-amino-4-methyl-6-[1-(4-phenylphenoxy)propyl]pyrimidine-5-carboxylic acid
CID 54850950
2-amino-4-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851833
2-amino-4-[1-(2,6-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide
CID 54853773
2-amino-4-[1-(2,5-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide
CID 54853663
2-amino-4-[1-(4-chlorophenoxy)ethyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851756
2-(2-methoxyphenoxy)propanediamide
CID 141374982
2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid
CID 150188567
phenyl (2R)-2-(2-methoxyphenoxy)propanoate
CID 134965556
6-[1-(2-chlorophenoxy)ethyl]-1,2,4-triazine-3,5-diamine
CID 58103141

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[1-(2-methoxyphenoxy)ethyl]-6-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-amino-4-[1-(2-methoxyphenoxy)ethyl]-6-methylpyrimidine-5-carboxylic acid (CID 54851712) is 2-amino-4-[1-(2-methoxyphenoxy)ethyl]-6-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-[1-(2-methoxyphenoxy)ethyl]-6-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-amino-4-[1-(2-methoxyphenoxy)ethyl]-6-methylpyrimidine-5-carboxylic acid is COc1ccccc1OC(C)c1nc(N)nc(C)c1C(=O)O.
What is the InChIKey of 2-amino-4-[1-(2-methoxyphenoxy)ethyl]-6-methylpyrimidine-5-carboxylic acid?
The InChIKey is RMRSWJVQEDQUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-8-12(14(19)20)13(18-15(16)17-8)9(2)22-11-7-5-4-6-10(11)21-3/h4-7,9H,1-3H3,(H,19,20)(H2,16,17,18).
What are the key properties of 2-amino-4-[1-(2-methoxyphenoxy)ethyl]-6-methylpyrimidine-5-carboxylic acid?
2-amino-4-[1-(2-methoxyphenoxy)ethyl]-6-methylpyrimidine-5-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[1-(2-methoxyphenoxy)ethyl]-6-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 54851712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).