2-[2-[4-[6-(4-methoxyanilino)pyrimidin-4-yl]pyrazol-1-yl]ethoxy]acetic acid

C18H19N5O4 — CID 157319604

IUPAC2-[2-[4-[6-(4-methoxyanilino)pyrimidin-4-yl]pyrazol-1-yl]ethoxy]acetic acid
SMILESCOc1ccc(Nc2cc(-c3cnn(CCOCC(=O)O)c3)ncn2)cc1
InChIInChI=1S/C18H19N5O4/c1-26-15-4-2-14(3-5-15)22-17-8-16(19-12-20-17)13-9-21-23(10-13)6-7-27-11-18(24)25/h2-5,8-10,12H,6-7,11H2,1H3,(H,24,25)(H,19,20,22)
InChIKeyBDZUDNOCJGDIMF-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.19
Rot. Bonds9

About 2-[2-[4-[6-(4-methoxyanilino)pyrimidin-4-yl]pyrazol-1-yl]ethoxy]acetic acid

2-[2-[4-[6-(4-methoxyanilino)pyrimidin-4-yl]pyrazol-1-yl]ethoxy]acetic acid (PubChem CID 157319604) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-[2-[4-[6-(4-methoxyanilino)pyrimidin-4-yl]pyrazol-1-yl]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-[6-(4-methoxyanilino)pyrimidin-4-yl]pyrazol-1-yl]ethoxy]acetic acid
PubChem CID157319604
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name2-[2-[4-[6-(4-methoxyanilino)pyrimidin-4-yl]pyrazol-1-yl]ethoxy]acetic acid
SMILESCOc1ccc(Nc2cc(-c3cnn(CCOCC(=O)O)c3)ncn2)cc1
InChIInChI=1S/C18H19N5O4/c1-26-15-4-2-14(3-5-15)22-17-8-16(19-12-20-17)13-9-21-23(10-13)6-7-27-11-18(24)25/h2-5,8-10,12H,6-7,11H2,1H3,(H,24,25)(H,19,20,22)
InChIKeyBDZUDNOCJGDIMF-UHFFFAOYSA-N
XLogP2.19
TPSA111.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethanol
CID 118226334
N-[2-[2-[2-[2-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]formamide
CID 144886710
6-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 118225981
2-bicyclo[2.2.1]hept-5-enylmethylidene-formyl-[2-[2-[2-[2-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]azanium
CID 123944518
N-(4-chlorophenyl)-6-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine
CID 175998555
6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 53261247
N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866239
4-[4-(4-methoxyphenyl)pyrazol-1-yl]butanoic acid
CID 139033660
1-[1-[6-(4-methoxyanilino)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
CID 4972505
2-(4-methoxyphenoxy)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 166327221
N-(3,5-dimethoxyphenyl)-3-(1-propylpyrazol-4-yl)quinoxalin-6-amine
CID 123551705
4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 53261245

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[6-(4-methoxyanilino)pyrimidin-4-yl]pyrazol-1-yl]ethoxy]acetic acid?
The IUPAC name of 2-[2-[4-[6-(4-methoxyanilino)pyrimidin-4-yl]pyrazol-1-yl]ethoxy]acetic acid (CID 157319604) is 2-[2-[4-[6-(4-methoxyanilino)pyrimidin-4-yl]pyrazol-1-yl]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-[6-(4-methoxyanilino)pyrimidin-4-yl]pyrazol-1-yl]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[4-[6-(4-methoxyanilino)pyrimidin-4-yl]pyrazol-1-yl]ethoxy]acetic acid is COc1ccc(Nc2cc(-c3cnn(CCOCC(=O)O)c3)ncn2)cc1.
What is the InChIKey of 2-[2-[4-[6-(4-methoxyanilino)pyrimidin-4-yl]pyrazol-1-yl]ethoxy]acetic acid?
The InChIKey is BDZUDNOCJGDIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-26-15-4-2-14(3-5-15)22-17-8-16(19-12-20-17)13-9-21-23(10-13)6-7-27-11-18(24)25/h2-5,8-10,12H,6-7,11H2,1H3,(H,24,25)(H,19,20,22).
What are the key properties of 2-[2-[4-[6-(4-methoxyanilino)pyrimidin-4-yl]pyrazol-1-yl]ethoxy]acetic acid?
2-[2-[4-[6-(4-methoxyanilino)pyrimidin-4-yl]pyrazol-1-yl]ethoxy]acetic acid has a molecular weight of 369.38 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[6-(4-methoxyanilino)pyrimidin-4-yl]pyrazol-1-yl]ethoxy]acetic acid is sourced from PubChem (CID 157319604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).