2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid

C15H17N3O3 — CID 107553220

IUPAC2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
SMILESCOc1ccc(CCNc2nc(C)cc(C(=O)O)n2)cc1
InChIInChI=1S/C15H17N3O3/c1-10-9-13(14(19)20)18-15(17-10)16-8-7-11-3-5-12(21-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyVURKGPJAAKVEDP-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.15
Rot. Bonds6

About 2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid

2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid (PubChem CID 107553220) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
PubChem CID107553220
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
SMILESCOc1ccc(CCNc2nc(C)cc(C(=O)O)n2)cc1
InChIInChI=1S/C15H17N3O3/c1-10-9-13(14(19)20)18-15(17-10)16-8-7-11-3-5-12(21-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyVURKGPJAAKVEDP-UHFFFAOYSA-N
XLogP2.15
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553225
2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109330842
6-methyl-2-(2-thiophen-3-ylethylamino)pyrimidine-4-carboxylic acid
CID 107553518
2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328638
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109323407
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325216
2-[2-(4-chlorophenyl)ethylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109331701
2-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331159
1-[4-[[2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112921437
4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921378
2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112921379
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329621

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid (CID 107553220) is 2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid is COc1ccc(CCNc2nc(C)cc(C(=O)O)n2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is VURKGPJAAKVEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-9-13(14(19)20)18-15(17-10)16-8-7-11-3-5-12(21-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid?
2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).